USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 419 GLN :FLIP amide:sc= -0.137 F(o=-1.1,f=-0.21) USER MOD Set 1.2: A 423 GLN :FLIP amide:sc= -0.074 F(o=-1.2,f=-0.21) USER MOD Single : A 398 GLN : amide:sc= 0.185 K(o=0.19,f=-0.88) USER MOD Single : A 399 LYS NZ :NH3+ -146:sc= -0.0789 (180deg=-0.327) USER MOD Single : A 406 ASN : amide:sc= 0.293 X(o=0.29,f=0.48) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.23) USER MOD Single : A 414 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.2) USER MOD Single : A 424 MET CE :methyl 165:sc= 0 (180deg=-0.195) USER MOD Single : A 426 MET CE :methyl -151:sc= -0.0309 (180deg=-1.45!) USER MOD Single : A 430 ASN : amide:sc= 0.121 K(o=0.12,f=-3.2!) USER MOD Single : A 433 SER OG : rot 170:sc= -0.412 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot -1:sc= 0.627 USER MOD Single : A 455 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 460 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 464 GLN :FLIP amide:sc= -0.175 F(o=-0.93,f=-0.17) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.816 K(o=0.82,f=-0.032) USER MOD Single : A 470 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 166:sc= 0.847 (180deg=0.615) USER MOD Single : A 477 LYS NZ :NH3+ -157:sc= 0.298 (180deg=0.15) USER MOD Single : A 479 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.807 6.770 7.746 1.00 22.24 N ATOM 57 CA GLN A 398 -0.128 7.328 6.728 1.00 51.44 C ATOM 58 C GLN A 398 -0.725 8.712 7.165 1.00 15.21 C ATOM 59 O GLN A 398 -1.805 8.789 7.750 1.00 45.32 O ATOM 60 CB GLN A 398 -1.198 6.215 6.408 1.00 50.41 C ATOM 61 CG GLN A 398 -2.583 6.561 5.710 1.00 64.32 C ATOM 62 CD GLN A 398 -2.624 6.395 4.192 1.00 70.33 C ATOM 63 OE1 GLN A 398 -1.616 6.533 3.500 1.00 33.31 O ATOM 64 NE2 GLN A 398 -3.822 6.089 3.674 1.00 70.32 N ATOM 0 HA GLN A 398 0.398 7.570 5.804 1.00 51.44 H new ATOM 0 HB2 GLN A 398 -0.704 5.474 5.779 1.00 50.41 H new ATOM 0 HB3 GLN A 398 -1.435 5.724 7.352 1.00 50.41 H new ATOM 0 HG2 GLN A 398 -3.356 5.928 6.146 1.00 64.32 H new ATOM 0 HG3 GLN A 398 -2.842 7.592 5.951 1.00 64.32 H new ATOM 0 HE21 GLN A 398 -4.631 5.984 4.287 1.00 70.32 H new ATOM 0 HE22 GLN A 398 -3.925 5.961 2.667 1.00 70.32 H new ATOM 73 N LYS A 399 0.071 9.793 6.981 1.00 63.14 N ATOM 74 CA LYS A 399 -0.407 11.194 7.088 1.00 43.53 C ATOM 75 C LYS A 399 -0.048 12.029 5.822 1.00 23.31 C ATOM 76 O LYS A 399 1.121 12.316 5.546 1.00 3.14 O ATOM 77 CB LYS A 399 -0.002 11.894 8.450 1.00 51.00 C ATOM 78 CG LYS A 399 1.475 12.285 8.729 1.00 40.12 C ATOM 79 CD LYS A 399 2.497 11.197 8.405 1.00 64.21 C ATOM 80 CE LYS A 399 3.957 11.636 8.703 1.00 11.23 C ATOM 81 NZ LYS A 399 4.259 12.979 8.123 1.00 64.12 N ATOM 0 H LYS A 399 1.063 9.719 6.754 1.00 63.14 H new ATOM 0 HA LYS A 399 -1.496 11.149 7.121 1.00 43.53 H new ATOM 0 HB2 LYS A 399 -0.596 12.804 8.533 1.00 51.00 H new ATOM 0 HB3 LYS A 399 -0.317 11.233 9.257 1.00 51.00 H new ATOM 0 HG2 LYS A 399 1.716 13.175 8.148 1.00 40.12 H new ATOM 0 HG3 LYS A 399 1.573 12.554 9.781 1.00 40.12 H new ATOM 0 HD2 LYS A 399 2.266 10.303 8.984 1.00 64.21 H new ATOM 0 HD3 LYS A 399 2.411 10.926 7.353 1.00 64.21 H new ATOM 0 HE2 LYS A 399 4.117 11.661 9.781 1.00 11.23 H new ATOM 0 HE3 LYS A 399 4.649 10.899 8.295 1.00 11.23 H new ATOM 0 HZ1 LYS A 399 5.252 13.009 7.817 1.00 64.12 H new ATOM 0 HZ2 LYS A 399 3.639 13.152 7.306 1.00 64.12 H new ATOM 0 HZ3 LYS A 399 4.096 13.712 8.842 1.00 64.12 H new ATOM 95 N GLU A 400 -1.106 12.323 5.030 1.00 3.24 N ATOM 96 CA GLU A 400 -1.041 13.174 3.794 1.00 75.44 C ATOM 97 C GLU A 400 -0.697 14.677 4.066 1.00 23.33 C ATOM 98 O GLU A 400 -0.707 15.116 5.216 1.00 11.24 O ATOM 99 CB GLU A 400 -2.343 13.083 2.920 1.00 71.31 C ATOM 100 CG GLU A 400 -3.450 14.081 3.252 1.00 70.45 C ATOM 101 CD GLU A 400 -3.692 15.117 2.165 1.00 33.41 C ATOM 102 OE1 GLU A 400 -3.792 14.725 0.989 1.00 2.24 O ATOM 103 OE2 GLU A 400 -3.799 16.314 2.495 1.00 73.52 O ATOM 0 H GLU A 400 -2.046 11.977 5.224 1.00 3.24 H new ATOM 0 HA GLU A 400 -0.210 12.747 3.233 1.00 75.44 H new ATOM 0 HB2 GLU A 400 -2.064 13.216 1.875 1.00 71.31 H new ATOM 0 HB3 GLU A 400 -2.750 12.076 3.015 1.00 71.31 H new ATOM 0 HG2 GLU A 400 -4.376 13.535 3.432 1.00 70.45 H new ATOM 0 HG3 GLU A 400 -3.197 14.594 4.180 1.00 70.45 H new ATOM 110 N GLY A 401 -0.373 15.453 2.990 1.00 41.02 N ATOM 111 CA GLY A 401 0.206 16.809 3.168 1.00 2.54 C ATOM 112 C GLY A 401 -0.735 17.985 2.839 1.00 13.31 C ATOM 113 O GLY A 401 -1.682 18.188 3.599 1.00 55.21 O ATOM 0 H GLY A 401 -0.500 15.169 2.019 1.00 41.02 H new ATOM 0 HA2 GLY A 401 0.537 16.910 4.202 1.00 2.54 H new ATOM 0 HA3 GLY A 401 1.093 16.891 2.540 1.00 2.54 H new ATOM 117 N PRO A 402 -0.496 18.859 1.783 1.00 41.42 N ATOM 118 CA PRO A 402 -1.431 19.962 1.503 1.00 71.41 C ATOM 119 C PRO A 402 -2.606 19.539 0.606 1.00 73.52 C ATOM 120 O PRO A 402 -2.571 18.462 -0.010 1.00 12.12 O ATOM 121 CB PRO A 402 -0.520 20.980 0.799 1.00 62.02 C ATOM 122 CG PRO A 402 0.366 20.147 -0.035 1.00 22.44 C ATOM 123 CD PRO A 402 0.654 18.909 0.800 1.00 50.12 C ATOM 0 HA PRO A 402 -1.919 20.343 2.400 1.00 71.41 H new ATOM 0 HB2 PRO A 402 -1.096 21.680 0.194 1.00 62.02 H new ATOM 0 HB3 PRO A 402 0.048 21.572 1.517 1.00 62.02 H new ATOM 0 HG2 PRO A 402 -0.114 19.883 -0.977 1.00 22.44 H new ATOM 0 HG3 PRO A 402 1.286 20.677 -0.283 1.00 22.44 H new ATOM 0 HD2 PRO A 402 0.692 18.011 0.183 1.00 50.12 H new ATOM 0 HD3 PRO A 402 1.614 18.986 1.311 1.00 50.12 H new ATOM 131 N GLU A 403 -3.684 20.352 0.624 1.00 74.54 N ATOM 132 CA GLU A 403 -4.729 20.317 -0.390 1.00 25.52 C ATOM 133 C GLU A 403 -4.072 20.281 -1.813 1.00 70.13 C ATOM 134 O GLU A 403 -3.368 21.212 -2.226 1.00 73.33 O ATOM 135 CB GLU A 403 -5.694 21.540 -0.134 1.00 61.23 C ATOM 136 CG GLU A 403 -5.369 22.924 -0.767 1.00 64.35 C ATOM 137 CD GLU A 403 -6.519 23.448 -1.587 1.00 10.13 C ATOM 138 OE1 GLU A 403 -6.616 23.099 -2.776 1.00 50.32 O ATOM 139 OE2 GLU A 403 -7.351 24.196 -1.024 1.00 71.21 O ATOM 0 H GLU A 403 -3.843 21.050 1.351 1.00 74.54 H new ATOM 0 HA GLU A 403 -5.339 19.416 -0.333 1.00 25.52 H new ATOM 0 HB2 GLU A 403 -6.686 21.249 -0.478 1.00 61.23 H new ATOM 0 HB3 GLU A 403 -5.760 21.683 0.945 1.00 61.23 H new ATOM 0 HG2 GLU A 403 -5.130 23.637 0.022 1.00 64.35 H new ATOM 0 HG3 GLU A 403 -4.484 22.837 -1.397 1.00 64.35 H new ATOM 146 N GLY A 404 -4.207 19.136 -2.497 1.00 63.21 N ATOM 147 CA GLY A 404 -3.704 19.005 -3.834 1.00 64.25 C ATOM 148 C GLY A 404 -3.055 17.633 -4.188 1.00 11.51 C ATOM 149 O GLY A 404 -3.233 17.165 -5.310 1.00 61.21 O ATOM 0 H GLY A 404 -4.662 18.300 -2.131 1.00 63.21 H new ATOM 0 HA2 GLY A 404 -4.524 19.187 -4.529 1.00 64.25 H new ATOM 0 HA3 GLY A 404 -2.965 19.788 -4.001 1.00 64.25 H new ATOM 153 N ALA A 405 -2.299 16.978 -3.273 1.00 12.23 N ATOM 154 CA ALA A 405 -1.653 15.675 -3.582 1.00 74.13 C ATOM 155 C ALA A 405 -2.263 14.546 -2.724 1.00 45.03 C ATOM 156 O ALA A 405 -2.076 14.547 -1.509 1.00 74.43 O ATOM 157 CB ALA A 405 -0.171 15.769 -3.174 1.00 71.51 C ATOM 0 H ALA A 405 -2.122 17.322 -2.329 1.00 12.23 H new ATOM 0 HA ALA A 405 -1.790 15.463 -4.642 1.00 74.13 H new ATOM 0 HB1 ALA A 405 0.327 14.824 -3.391 1.00 71.51 H new ATOM 0 HB2 ALA A 405 0.311 16.570 -3.735 1.00 71.51 H new ATOM 0 HB3 ALA A 405 -0.100 15.980 -2.107 1.00 71.51 H new ATOM 163 N ASN A 406 -2.960 13.574 -3.357 1.00 3.01 N ATOM 164 CA ASN A 406 -3.074 12.155 -2.832 1.00 71.32 C ATOM 165 C ASN A 406 -3.270 11.070 -3.977 1.00 44.15 C ATOM 166 O ASN A 406 -4.273 11.122 -4.696 1.00 53.33 O ATOM 167 CB ASN A 406 -4.195 12.106 -1.731 1.00 11.45 C ATOM 168 CG ASN A 406 -5.413 12.960 -2.014 1.00 63.32 C ATOM 169 OD1 ASN A 406 -5.979 12.942 -3.111 1.00 14.04 O ATOM 170 ND2 ASN A 406 -5.778 13.783 -1.034 1.00 24.11 N ATOM 0 H ASN A 406 -3.459 13.727 -4.233 1.00 3.01 H new ATOM 0 HA ASN A 406 -2.124 11.879 -2.375 1.00 71.32 H new ATOM 0 HB2 ASN A 406 -4.517 11.072 -1.608 1.00 11.45 H new ATOM 0 HB3 ASN A 406 -3.763 12.421 -0.781 1.00 11.45 H new ATOM 0 HD21 ASN A 406 -6.553 14.431 -1.175 1.00 24.11 H new ATOM 0 HD22 ASN A 406 -5.283 13.765 -0.142 1.00 24.11 H new ATOM 177 N LEU A 407 -2.313 10.084 -4.169 1.00 63.33 N ATOM 178 CA LEU A 407 -2.492 8.991 -5.179 1.00 34.42 C ATOM 179 C LEU A 407 -2.842 7.596 -4.497 1.00 0.21 C ATOM 180 O LEU A 407 -1.978 7.055 -3.818 1.00 32.31 O ATOM 181 CB LEU A 407 -1.126 8.829 -5.898 1.00 62.22 C ATOM 182 CG LEU A 407 -0.924 9.398 -7.329 1.00 31.14 C ATOM 183 CD1 LEU A 407 0.139 8.616 -8.032 1.00 42.10 C ATOM 184 CD2 LEU A 407 -2.204 9.470 -8.134 1.00 25.45 C ATOM 0 H LEU A 407 -1.438 10.034 -3.648 1.00 63.33 H new ATOM 0 HA LEU A 407 -3.310 9.255 -5.849 1.00 34.42 H new ATOM 0 HB2 LEU A 407 -0.369 9.284 -5.259 1.00 62.22 H new ATOM 0 HB3 LEU A 407 -0.908 7.762 -5.941 1.00 62.22 H new ATOM 0 HG LEU A 407 -0.598 10.434 -7.230 1.00 31.14 H new ATOM 0 HD11 LEU A 407 0.281 9.015 -9.036 1.00 42.10 H new ATOM 0 HD12 LEU A 407 1.074 8.691 -7.476 1.00 42.10 H new ATOM 0 HD13 LEU A 407 -0.161 7.570 -8.097 1.00 42.10 H new ATOM 0 HD21 LEU A 407 -1.990 9.876 -9.122 1.00 25.45 H new ATOM 0 HD22 LEU A 407 -2.626 8.470 -8.236 1.00 25.45 H new ATOM 0 HD23 LEU A 407 -2.919 10.115 -7.624 1.00 25.45 H new ATOM 196 N PHE A 408 -4.060 6.972 -4.649 1.00 23.24 N ATOM 197 CA PHE A 408 -4.250 5.570 -4.132 1.00 10.33 C ATOM 198 C PHE A 408 -4.369 4.536 -5.293 1.00 1.02 C ATOM 199 O PHE A 408 -4.627 4.917 -6.438 1.00 35.32 O ATOM 200 CB PHE A 408 -5.400 5.416 -3.070 1.00 55.21 C ATOM 201 CG PHE A 408 -5.238 6.199 -1.759 1.00 65.41 C ATOM 202 CD1 PHE A 408 -3.988 6.497 -1.200 1.00 22.04 C ATOM 203 CD2 PHE A 408 -6.365 6.632 -1.076 1.00 71.24 C ATOM 204 CE1 PHE A 408 -3.881 7.207 -0.008 1.00 61.31 C ATOM 205 CE2 PHE A 408 -6.260 7.335 0.115 1.00 11.42 C ATOM 206 CZ PHE A 408 -5.019 7.622 0.646 1.00 23.34 C ATOM 0 H PHE A 408 -4.877 7.387 -5.096 1.00 23.24 H new ATOM 0 HA PHE A 408 -3.338 5.343 -3.580 1.00 10.33 H new ATOM 0 HB2 PHE A 408 -6.337 5.723 -3.536 1.00 55.21 H new ATOM 0 HB3 PHE A 408 -5.497 4.358 -2.825 1.00 55.21 H new ATOM 0 HD1 PHE A 408 -3.091 6.169 -1.704 1.00 22.04 H new ATOM 0 HD2 PHE A 408 -7.344 6.417 -1.480 1.00 71.24 H new ATOM 0 HE1 PHE A 408 -2.908 7.432 0.403 1.00 61.31 H new ATOM 0 HE2 PHE A 408 -7.153 7.659 0.629 1.00 11.42 H new ATOM 0 HZ PHE A 408 -4.941 8.171 1.573 1.00 23.34 H new ATOM 216 N ILE A 409 -4.147 3.220 -4.996 1.00 34.13 N ATOM 217 CA ILE A 409 -3.841 2.202 -6.092 1.00 55.15 C ATOM 218 C ILE A 409 -4.974 1.077 -6.070 1.00 35.24 C ATOM 219 O ILE A 409 -5.118 0.408 -5.042 1.00 53.53 O ATOM 220 CB ILE A 409 -2.387 1.464 -6.082 1.00 70.30 C ATOM 221 CG1 ILE A 409 -1.071 2.337 -6.266 1.00 42.02 C ATOM 222 CG2 ILE A 409 -2.348 0.510 -7.291 1.00 53.32 C ATOM 223 CD1 ILE A 409 -0.976 3.775 -5.795 1.00 13.23 C ATOM 0 H ILE A 409 -4.169 2.834 -4.052 1.00 34.13 H new ATOM 0 HA ILE A 409 -3.819 2.805 -7.000 1.00 55.15 H new ATOM 0 HB ILE A 409 -2.344 1.041 -5.078 1.00 70.30 H new ATOM 0 HG12 ILE A 409 -0.265 1.793 -5.774 1.00 42.02 H new ATOM 0 HG13 ILE A 409 -0.847 2.343 -7.333 1.00 42.02 H new ATOM 0 HG21 ILE A 409 -1.387 -0.004 -7.318 1.00 53.32 H new ATOM 0 HG22 ILE A 409 -3.149 -0.224 -7.202 1.00 53.32 H new ATOM 0 HG23 ILE A 409 -2.480 1.081 -8.210 1.00 53.32 H new ATOM 0 HD11 ILE A 409 0.014 4.169 -6.026 1.00 13.23 H new ATOM 0 HD12 ILE A 409 -1.732 4.375 -6.302 1.00 13.23 H new ATOM 0 HD13 ILE A 409 -1.141 3.817 -4.718 1.00 13.23 H new ATOM 235 N TYR A 410 -5.791 0.872 -7.166 1.00 75.01 N ATOM 236 CA TYR A 410 -6.726 -0.289 -7.287 1.00 12.12 C ATOM 237 C TYR A 410 -6.032 -1.401 -8.148 1.00 44.32 C ATOM 238 O TYR A 410 -5.293 -1.040 -9.074 1.00 32.30 O ATOM 239 CB TYR A 410 -8.057 0.188 -8.002 1.00 51.10 C ATOM 240 CG TYR A 410 -9.258 0.695 -7.198 1.00 24.00 C ATOM 241 CD1 TYR A 410 -9.189 1.458 -6.028 1.00 44.21 C ATOM 242 CD2 TYR A 410 -10.532 0.404 -7.689 1.00 2.14 C ATOM 243 CE1 TYR A 410 -10.342 1.888 -5.395 1.00 24.12 C ATOM 244 CE2 TYR A 410 -11.668 0.838 -7.057 1.00 61.12 C ATOM 245 CZ TYR A 410 -11.571 1.575 -5.915 1.00 61.05 C ATOM 246 OH TYR A 410 -12.709 2.002 -5.289 1.00 43.43 O ATOM 0 H TYR A 410 -5.813 1.500 -7.970 1.00 75.01 H new ATOM 0 HA TYR A 410 -6.970 -0.684 -6.301 1.00 12.12 H new ATOM 0 HB2 TYR A 410 -7.778 0.984 -8.692 1.00 51.10 H new ATOM 0 HB3 TYR A 410 -8.410 -0.648 -8.606 1.00 51.10 H new ATOM 0 HD1 TYR A 410 -8.225 1.715 -5.614 1.00 44.21 H new ATOM 0 HD2 TYR A 410 -10.625 -0.180 -8.593 1.00 2.14 H new ATOM 0 HE1 TYR A 410 -10.273 2.472 -4.489 1.00 24.12 H new ATOM 0 HE2 TYR A 410 -12.639 0.596 -7.464 1.00 61.12 H new ATOM 0 HH TYR A 410 -13.493 1.694 -5.790 1.00 43.43 H new ATOM 256 N HIS A 411 -6.242 -2.746 -7.822 1.00 71.52 N ATOM 257 CA HIS A 411 -5.681 -3.882 -8.614 1.00 40.32 C ATOM 258 C HIS A 411 -4.153 -4.078 -8.464 1.00 72.43 C ATOM 259 O HIS A 411 -3.390 -3.722 -9.371 1.00 42.21 O ATOM 260 CB HIS A 411 -6.040 -3.846 -10.093 1.00 30.55 C ATOM 261 CG HIS A 411 -7.464 -4.163 -10.455 1.00 63.54 C ATOM 262 ND1 HIS A 411 -8.349 -4.815 -9.622 1.00 52.52 N ATOM 263 CD2 HIS A 411 -8.157 -3.874 -11.580 1.00 1.43 C ATOM 264 CE1 HIS A 411 -9.527 -4.905 -10.217 1.00 71.41 C ATOM 265 NE2 HIS A 411 -9.436 -4.342 -11.408 1.00 0.12 N ATOM 0 H HIS A 411 -6.795 -3.043 -7.018 1.00 71.52 H new ATOM 0 HA HIS A 411 -6.174 -4.743 -8.163 1.00 40.32 H new ATOM 0 HB2 HIS A 411 -5.806 -2.852 -10.475 1.00 30.55 H new ATOM 0 HB3 HIS A 411 -5.392 -4.549 -10.617 1.00 30.55 H new ATOM 0 HD2 HIS A 411 -7.774 -3.368 -12.454 1.00 1.43 H new ATOM 0 HE1 HIS A 411 -10.412 -5.361 -9.800 1.00 71.41 H new ATOM 0 HE2 HIS A 411 -10.192 -4.267 -12.089 1.00 0.12 H new ATOM 274 N LEU A 412 -3.703 -4.587 -7.306 1.00 64.40 N ATOM 275 CA LEU A 412 -2.272 -4.642 -6.984 1.00 62.23 C ATOM 276 C LEU A 412 -1.634 -5.870 -7.688 1.00 22.53 C ATOM 277 O LEU A 412 -2.143 -6.979 -7.502 1.00 24.45 O ATOM 278 CB LEU A 412 -2.053 -4.717 -5.428 1.00 51.22 C ATOM 279 CG LEU A 412 -0.602 -4.997 -4.965 1.00 71.12 C ATOM 280 CD1 LEU A 412 0.016 -3.831 -4.206 1.00 52.12 C ATOM 281 CD2 LEU A 412 -0.494 -6.282 -4.120 1.00 54.23 C ATOM 0 H LEU A 412 -4.310 -4.965 -6.579 1.00 64.40 H new ATOM 0 HA LEU A 412 -1.790 -3.733 -7.343 1.00 62.23 H new ATOM 0 HB2 LEU A 412 -2.379 -3.775 -4.988 1.00 51.22 H new ATOM 0 HB3 LEU A 412 -2.700 -5.497 -5.026 1.00 51.22 H new ATOM 0 HG LEU A 412 -0.035 -5.136 -5.885 1.00 71.12 H new ATOM 0 HD11 LEU A 412 1.032 -4.088 -3.908 1.00 52.12 H new ATOM 0 HD12 LEU A 412 0.038 -2.950 -4.847 1.00 52.12 H new ATOM 0 HD13 LEU A 412 -0.579 -3.619 -3.318 1.00 52.12 H new ATOM 0 HD21 LEU A 412 0.543 -6.434 -3.820 1.00 54.23 H new ATOM 0 HD22 LEU A 412 -1.119 -6.187 -3.232 1.00 54.23 H new ATOM 0 HD23 LEU A 412 -0.830 -7.135 -4.710 1.00 54.23 H new ATOM 293 N PRO A 413 -0.572 -5.732 -8.553 1.00 4.12 N ATOM 294 CA PRO A 413 0.089 -6.899 -9.160 1.00 13.01 C ATOM 295 C PRO A 413 1.010 -7.746 -8.232 1.00 1.05 C ATOM 296 O PRO A 413 1.156 -7.456 -7.048 1.00 1.15 O ATOM 297 CB PRO A 413 0.758 -6.378 -10.391 1.00 23.42 C ATOM 298 CG PRO A 413 1.041 -4.961 -10.147 1.00 52.41 C ATOM 299 CD PRO A 413 0.068 -4.461 -9.102 1.00 2.23 C ATOM 0 HA PRO A 413 -0.659 -7.657 -9.394 1.00 13.01 H new ATOM 0 HB2 PRO A 413 1.677 -6.927 -10.594 1.00 23.42 H new ATOM 0 HB3 PRO A 413 0.115 -6.500 -11.262 1.00 23.42 H new ATOM 0 HG2 PRO A 413 2.068 -4.831 -9.804 1.00 52.41 H new ATOM 0 HG3 PRO A 413 0.938 -4.388 -11.068 1.00 52.41 H new ATOM 0 HD2 PRO A 413 0.578 -3.900 -8.318 1.00 2.23 H new ATOM 0 HD3 PRO A 413 -0.677 -3.795 -9.537 1.00 2.23 H new ATOM 307 N GLN A 414 1.618 -8.791 -8.838 1.00 54.43 N ATOM 308 CA GLN A 414 1.932 -10.131 -8.285 1.00 73.32 C ATOM 309 C GLN A 414 2.249 -10.355 -6.742 1.00 3.10 C ATOM 310 O GLN A 414 1.415 -11.006 -6.113 1.00 55.14 O ATOM 311 CB GLN A 414 3.187 -10.542 -9.126 1.00 4.05 C ATOM 312 CG GLN A 414 4.189 -9.392 -9.467 1.00 42.41 C ATOM 313 CD GLN A 414 5.391 -9.298 -8.528 1.00 34.12 C ATOM 314 OE1 GLN A 414 5.859 -10.303 -7.989 1.00 1.11 O ATOM 315 NE2 GLN A 414 5.887 -8.080 -8.315 1.00 41.35 N ATOM 0 H GLN A 414 1.928 -8.714 -9.807 1.00 54.43 H new ATOM 0 HA GLN A 414 1.013 -10.713 -8.355 1.00 73.32 H new ATOM 0 HB2 GLN A 414 3.726 -11.318 -8.582 1.00 4.05 H new ATOM 0 HB3 GLN A 414 2.844 -10.987 -10.060 1.00 4.05 H new ATOM 0 HG2 GLN A 414 4.550 -9.532 -10.486 1.00 42.41 H new ATOM 0 HG3 GLN A 414 3.653 -8.443 -9.447 1.00 42.41 H new ATOM 0 HE21 GLN A 414 5.472 -7.272 -8.780 1.00 41.35 H new ATOM 0 HE22 GLN A 414 6.681 -7.955 -7.687 1.00 41.35 H new ATOM 324 N GLU A 415 3.333 -9.881 -6.089 1.00 62.04 N ATOM 325 CA GLU A 415 3.356 -9.857 -4.588 1.00 11.24 C ATOM 326 C GLU A 415 3.450 -8.429 -4.004 1.00 35.22 C ATOM 327 O GLU A 415 3.563 -8.295 -2.783 1.00 2.14 O ATOM 328 CB GLU A 415 4.415 -10.887 -3.971 1.00 11.14 C ATOM 329 CG GLU A 415 5.657 -10.342 -3.240 1.00 33.21 C ATOM 330 CD GLU A 415 6.939 -10.429 -4.033 1.00 50.23 C ATOM 331 OE1 GLU A 415 7.191 -9.538 -4.874 1.00 24.43 O ATOM 332 OE2 GLU A 415 7.721 -11.376 -3.779 1.00 62.53 O ATOM 0 H GLU A 415 4.174 -9.522 -6.541 1.00 62.04 H new ATOM 0 HA GLU A 415 2.382 -10.222 -4.262 1.00 11.24 H new ATOM 0 HB2 GLU A 415 3.879 -11.529 -3.272 1.00 11.14 H new ATOM 0 HB3 GLU A 415 4.766 -11.523 -4.784 1.00 11.14 H new ATOM 0 HG2 GLU A 415 5.479 -9.300 -2.975 1.00 33.21 H new ATOM 0 HG3 GLU A 415 5.784 -10.891 -2.307 1.00 33.21 H new ATOM 339 N PHE A 416 3.162 -7.386 -4.821 1.00 15.53 N ATOM 340 CA PHE A 416 3.922 -6.069 -4.729 1.00 60.31 C ATOM 341 C PHE A 416 3.857 -5.468 -3.275 1.00 60.31 C ATOM 342 O PHE A 416 2.843 -4.884 -2.903 1.00 42.12 O ATOM 343 CB PHE A 416 3.328 -4.990 -5.703 1.00 1.41 C ATOM 344 CG PHE A 416 4.102 -4.406 -6.860 1.00 61.33 C ATOM 345 CD1 PHE A 416 5.144 -5.022 -7.562 1.00 75.34 C ATOM 346 CD2 PHE A 416 3.688 -3.140 -7.270 1.00 72.05 C ATOM 347 CE1 PHE A 416 5.732 -4.374 -8.642 1.00 0.51 C ATOM 348 CE2 PHE A 416 4.256 -2.503 -8.345 1.00 64.02 C ATOM 349 CZ PHE A 416 5.285 -3.119 -9.041 1.00 24.42 C ATOM 0 H PHE A 416 2.436 -7.406 -5.537 1.00 15.53 H new ATOM 0 HA PHE A 416 4.952 -6.298 -5.001 1.00 60.31 H new ATOM 0 HB2 PHE A 416 2.421 -5.422 -6.125 1.00 1.41 H new ATOM 0 HB3 PHE A 416 3.021 -4.149 -5.081 1.00 1.41 H new ATOM 0 HD1 PHE A 416 5.491 -6.001 -7.265 1.00 75.34 H new ATOM 0 HD2 PHE A 416 2.897 -2.646 -6.726 1.00 72.05 H new ATOM 0 HE1 PHE A 416 6.542 -4.849 -9.175 1.00 0.51 H new ATOM 0 HE2 PHE A 416 3.904 -1.528 -8.647 1.00 64.02 H new ATOM 0 HZ PHE A 416 5.737 -2.626 -9.889 1.00 24.42 H new ATOM 359 N GLY A 417 4.934 -5.636 -2.451 1.00 33.11 N ATOM 360 CA GLY A 417 4.910 -5.191 -1.054 1.00 31.23 C ATOM 361 C GLY A 417 5.516 -3.793 -0.813 1.00 71.43 C ATOM 362 O GLY A 417 5.791 -3.074 -1.772 1.00 53.31 O ATOM 0 H GLY A 417 5.810 -6.072 -2.740 1.00 33.11 H new ATOM 0 HA2 GLY A 417 3.877 -5.190 -0.705 1.00 31.23 H new ATOM 0 HA3 GLY A 417 5.451 -5.916 -0.446 1.00 31.23 H new ATOM 366 N ASP A 418 5.708 -3.403 0.478 1.00 51.45 N ATOM 367 CA ASP A 418 6.230 -2.070 0.858 1.00 52.55 C ATOM 368 C ASP A 418 7.625 -1.772 0.255 1.00 4.25 C ATOM 369 O ASP A 418 7.901 -0.634 -0.135 1.00 11.12 O ATOM 370 CB ASP A 418 6.319 -1.935 2.386 1.00 63.44 C ATOM 371 CG ASP A 418 4.969 -1.812 3.084 1.00 33.30 C ATOM 372 OD1 ASP A 418 4.098 -2.692 2.886 1.00 34.31 O ATOM 373 OD2 ASP A 418 4.800 -0.871 3.875 1.00 15.24 O ATOM 0 H ASP A 418 5.505 -4.004 1.277 1.00 51.45 H new ATOM 0 HA ASP A 418 5.523 -1.347 0.451 1.00 52.55 H new ATOM 0 HB2 ASP A 418 6.844 -2.803 2.786 1.00 63.44 H new ATOM 0 HB3 ASP A 418 6.921 -1.059 2.627 1.00 63.44 H new ATOM 378 N GLN A 419 8.499 -2.802 0.208 1.00 0.04 N ATOM 379 CA GLN A 419 9.859 -2.678 -0.350 1.00 71.13 C ATOM 380 C GLN A 419 9.871 -2.288 -1.839 1.00 30.30 C ATOM 381 O GLN A 419 10.664 -1.411 -2.225 1.00 43.11 O ATOM 382 CB GLN A 419 10.755 -3.930 -0.049 1.00 1.42 C ATOM 383 CG GLN A 419 10.573 -5.224 -0.928 1.00 21.43 C ATOM 384 CD GLN A 419 11.322 -5.229 -2.268 1.00 75.43 C ATOM 385 OE1 GLN A 419 12.464 -4.549 -2.362 1.00 54.34 O flip ATOM 386 NE2 GLN A 419 10.854 -5.838 -3.225 1.00 53.20 N flip ATOM 0 H GLN A 419 8.281 -3.736 0.554 1.00 0.04 H new ATOM 0 HA GLN A 419 10.315 -1.841 0.179 1.00 71.13 H new ATOM 0 HB2 GLN A 419 11.796 -3.618 -0.133 1.00 1.42 H new ATOM 0 HB3 GLN A 419 10.589 -4.212 0.991 1.00 1.42 H new ATOM 0 HG2 GLN A 419 10.901 -6.085 -0.346 1.00 21.43 H new ATOM 0 HG3 GLN A 419 9.510 -5.360 -1.126 1.00 21.43 H new ATOM 0 HE21 GLN A 419 9.978 -6.350 -3.124 1.00 53.20 H new ATOM 0 HE22 GLN A 419 11.341 -5.832 -4.121 1.00 53.20 H new ATOM 395 N ASP A 420 9.001 -2.894 -2.677 1.00 41.25 N ATOM 396 CA ASP A 420 8.929 -2.444 -4.094 1.00 62.05 C ATOM 397 C ASP A 420 8.367 -1.022 -4.208 1.00 74.44 C ATOM 398 O ASP A 420 8.956 -0.211 -4.924 1.00 64.11 O ATOM 399 CB ASP A 420 8.179 -3.382 -5.080 1.00 60.25 C ATOM 400 CG ASP A 420 7.172 -2.677 -5.954 1.00 54.54 C ATOM 401 OD1 ASP A 420 6.029 -2.501 -5.493 1.00 52.41 O ATOM 402 OD2 ASP A 420 7.550 -2.244 -7.060 1.00 75.50 O ATOM 0 H ASP A 420 8.370 -3.654 -2.422 1.00 41.25 H new ATOM 0 HA ASP A 420 9.972 -2.472 -4.410 1.00 62.05 H new ATOM 0 HB2 ASP A 420 8.910 -3.882 -5.716 1.00 60.25 H new ATOM 0 HB3 ASP A 420 7.669 -4.158 -4.510 1.00 60.25 H new ATOM 407 N ILE A 421 7.224 -0.743 -3.522 1.00 44.50 N ATOM 408 CA ILE A 421 6.511 0.544 -3.651 1.00 22.31 C ATOM 409 C ILE A 421 7.430 1.781 -3.355 1.00 11.44 C ATOM 410 O ILE A 421 7.167 2.889 -3.852 1.00 31.31 O ATOM 411 CB ILE A 421 5.149 0.594 -2.751 1.00 74.43 C ATOM 412 CG1 ILE A 421 3.826 0.440 -3.589 1.00 24.52 C ATOM 413 CG2 ILE A 421 5.017 1.811 -1.828 1.00 34.11 C ATOM 414 CD1 ILE A 421 2.503 0.794 -2.892 1.00 44.24 C ATOM 0 H ILE A 421 6.783 -1.397 -2.876 1.00 44.50 H new ATOM 0 HA ILE A 421 6.214 0.610 -4.698 1.00 22.31 H new ATOM 0 HB ILE A 421 5.272 -0.283 -2.116 1.00 74.43 H new ATOM 0 HG12 ILE A 421 3.916 1.064 -4.478 1.00 24.52 H new ATOM 0 HG13 ILE A 421 3.761 -0.593 -3.930 1.00 24.52 H new ATOM 0 HG21 ILE A 421 4.080 1.749 -1.275 1.00 34.11 H new ATOM 0 HG22 ILE A 421 5.851 1.828 -1.127 1.00 34.11 H new ATOM 0 HG23 ILE A 421 5.026 2.723 -2.425 1.00 34.11 H new ATOM 0 HD11 ILE A 421 1.675 0.642 -3.584 1.00 44.24 H new ATOM 0 HD12 ILE A 421 2.369 0.154 -2.020 1.00 44.24 H new ATOM 0 HD13 ILE A 421 2.526 1.837 -2.577 1.00 44.24 H new ATOM 426 N LEU A 422 8.556 1.574 -2.637 1.00 35.22 N ATOM 427 CA LEU A 422 9.346 2.670 -2.155 1.00 22.41 C ATOM 428 C LEU A 422 10.346 3.073 -3.276 1.00 4.02 C ATOM 429 O LEU A 422 10.661 4.248 -3.454 1.00 34.33 O ATOM 430 CB LEU A 422 10.034 2.336 -0.767 1.00 43.10 C ATOM 431 CG LEU A 422 10.975 3.422 -0.146 1.00 51.04 C ATOM 432 CD1 LEU A 422 10.283 4.773 0.143 1.00 10.54 C ATOM 433 CD2 LEU A 422 11.628 2.981 1.167 1.00 12.12 C ATOM 0 H LEU A 422 8.917 0.652 -2.392 1.00 35.22 H new ATOM 0 HA LEU A 422 8.713 3.530 -1.937 1.00 22.41 H new ATOM 0 HB2 LEU A 422 9.247 2.121 -0.045 1.00 43.10 H new ATOM 0 HB3 LEU A 422 10.613 1.421 -0.890 1.00 43.10 H new ATOM 0 HG LEU A 422 11.725 3.551 -0.926 1.00 51.04 H new ATOM 0 HD11 LEU A 422 11.006 5.468 0.572 1.00 10.54 H new ATOM 0 HD12 LEU A 422 9.889 5.186 -0.786 1.00 10.54 H new ATOM 0 HD13 LEU A 422 9.465 4.620 0.847 1.00 10.54 H new ATOM 0 HD21 LEU A 422 12.267 3.781 1.542 1.00 12.12 H new ATOM 0 HD22 LEU A 422 10.854 2.760 1.902 1.00 12.12 H new ATOM 0 HD23 LEU A 422 12.229 2.088 0.993 1.00 12.12 H new ATOM 445 N GLN A 423 10.826 2.064 -4.024 1.00 30.11 N ATOM 446 CA GLN A 423 11.714 2.285 -5.200 1.00 34.10 C ATOM 447 C GLN A 423 10.974 2.522 -6.566 1.00 44.45 C ATOM 448 O GLN A 423 11.428 3.373 -7.330 1.00 42.13 O ATOM 449 CB GLN A 423 12.784 1.152 -5.325 1.00 1.22 C ATOM 450 CG GLN A 423 12.306 -0.091 -6.078 1.00 14.12 C ATOM 451 CD GLN A 423 12.979 -1.362 -5.612 1.00 21.32 C ATOM 452 OE1 GLN A 423 12.398 -1.991 -4.606 1.00 3.03 O flip ATOM 453 NE2 GLN A 423 14.006 -1.768 -6.143 1.00 0.33 N flip ATOM 0 H GLN A 423 10.618 1.082 -3.842 1.00 30.11 H new ATOM 0 HA GLN A 423 12.215 3.230 -4.991 1.00 34.10 H new ATOM 0 HB2 GLN A 423 13.662 1.553 -5.831 1.00 1.22 H new ATOM 0 HB3 GLN A 423 13.100 0.856 -4.325 1.00 1.22 H new ATOM 0 HG2 GLN A 423 11.228 -0.191 -5.954 1.00 14.12 H new ATOM 0 HG3 GLN A 423 12.493 0.043 -7.143 1.00 14.12 H new ATOM 0 HE21 GLN A 423 14.419 -1.249 -6.918 1.00 0.33 H new ATOM 0 HE22 GLN A 423 14.448 -2.625 -5.810 1.00 0.33 H new ATOM 462 N MET A 424 9.866 1.793 -6.901 1.00 1.44 N ATOM 463 CA MET A 424 9.240 1.915 -8.264 1.00 31.21 C ATOM 464 C MET A 424 8.449 3.267 -8.427 1.00 55.15 C ATOM 465 O MET A 424 8.179 3.677 -9.556 1.00 52.22 O ATOM 466 CB MET A 424 8.361 0.631 -8.656 1.00 11.53 C ATOM 467 CG MET A 424 7.888 0.455 -10.153 1.00 32.32 C ATOM 468 SD MET A 424 9.217 -0.091 -11.232 1.00 12.53 S ATOM 469 CE MET A 424 9.340 -1.819 -10.754 1.00 22.31 C ATOM 0 H MET A 424 9.399 1.137 -6.275 1.00 1.44 H new ATOM 0 HA MET A 424 10.058 1.944 -8.984 1.00 31.21 H new ATOM 0 HB2 MET A 424 8.935 -0.256 -8.386 1.00 11.53 H new ATOM 0 HB3 MET A 424 7.470 0.638 -8.028 1.00 11.53 H new ATOM 0 HG2 MET A 424 7.073 -0.268 -10.191 1.00 32.32 H new ATOM 0 HG3 MET A 424 7.492 1.402 -10.520 1.00 32.32 H new ATOM 0 HE1 MET A 424 9.921 -2.362 -11.499 1.00 22.31 H new ATOM 0 HE2 MET A 424 9.833 -1.894 -9.785 1.00 22.31 H new ATOM 0 HE3 MET A 424 8.341 -2.250 -10.688 1.00 22.31 H new ATOM 479 N PHE A 425 8.093 3.993 -7.318 1.00 55.11 N ATOM 480 CA PHE A 425 7.399 5.298 -7.441 1.00 52.13 C ATOM 481 C PHE A 425 8.405 6.476 -7.163 1.00 31.25 C ATOM 482 O PHE A 425 8.051 7.646 -7.270 1.00 5.31 O ATOM 483 CB PHE A 425 6.130 5.287 -6.529 1.00 31.22 C ATOM 484 CG PHE A 425 4.764 4.981 -7.196 1.00 31.44 C ATOM 485 CD1 PHE A 425 4.397 3.693 -7.584 1.00 3.01 C ATOM 486 CD2 PHE A 425 3.828 5.997 -7.419 1.00 11.31 C ATOM 487 CE1 PHE A 425 3.160 3.437 -8.151 1.00 5.00 C ATOM 488 CE2 PHE A 425 2.596 5.737 -7.983 1.00 62.34 C ATOM 489 CZ PHE A 425 2.260 4.456 -8.344 1.00 34.03 C ATOM 0 H PHE A 425 8.274 3.698 -6.359 1.00 55.11 H new ATOM 0 HA PHE A 425 7.043 5.465 -8.458 1.00 52.13 H new ATOM 0 HB2 PHE A 425 6.290 4.551 -5.741 1.00 31.22 H new ATOM 0 HB3 PHE A 425 6.056 6.261 -6.046 1.00 31.22 H new ATOM 0 HD1 PHE A 425 5.092 2.879 -7.439 1.00 3.01 H new ATOM 0 HD2 PHE A 425 4.076 7.011 -7.142 1.00 11.31 H new ATOM 0 HE1 PHE A 425 2.901 2.430 -8.443 1.00 5.00 H new ATOM 0 HE2 PHE A 425 1.895 6.543 -8.141 1.00 62.34 H new ATOM 0 HZ PHE A 425 1.292 4.251 -8.778 1.00 34.03 H new ATOM 499 N MET A 426 9.682 6.128 -6.832 1.00 73.41 N ATOM 500 CA MET A 426 10.709 7.069 -6.309 1.00 74.42 C ATOM 501 C MET A 426 11.266 8.143 -7.309 1.00 61.32 C ATOM 502 O MET A 426 11.474 9.276 -6.870 1.00 25.51 O ATOM 503 CB MET A 426 11.935 6.311 -5.769 1.00 22.33 C ATOM 504 CG MET A 426 12.494 6.932 -4.498 1.00 75.05 C ATOM 505 SD MET A 426 14.235 6.546 -4.178 1.00 13.24 S ATOM 506 CE MET A 426 14.200 4.804 -3.760 1.00 30.20 C ATOM 0 H MET A 426 10.028 5.173 -6.923 1.00 73.41 H new ATOM 0 HA MET A 426 10.152 7.602 -5.538 1.00 74.42 H new ATOM 0 HB2 MET A 426 11.659 5.275 -5.572 1.00 22.33 H new ATOM 0 HB3 MET A 426 12.712 6.294 -6.533 1.00 22.33 H new ATOM 0 HG2 MET A 426 12.379 8.014 -4.556 1.00 75.05 H new ATOM 0 HG3 MET A 426 11.898 6.594 -3.650 1.00 75.05 H new ATOM 0 HE1 MET A 426 15.022 4.576 -3.081 1.00 30.20 H new ATOM 0 HE2 MET A 426 13.253 4.565 -3.276 1.00 30.20 H new ATOM 0 HE3 MET A 426 14.304 4.210 -4.668 1.00 30.20 H new ATOM 516 N PRO A 427 11.614 7.817 -8.629 1.00 5.10 N ATOM 517 CA PRO A 427 12.286 8.777 -9.581 1.00 30.41 C ATOM 518 C PRO A 427 11.571 10.157 -9.860 1.00 34.42 C ATOM 519 O PRO A 427 12.092 10.936 -10.644 1.00 50.35 O ATOM 520 CB PRO A 427 12.417 7.902 -10.869 1.00 32.21 C ATOM 521 CG PRO A 427 11.309 6.940 -10.733 1.00 52.22 C ATOM 522 CD PRO A 427 11.481 6.504 -9.325 1.00 62.20 C ATOM 0 HA PRO A 427 13.220 9.146 -9.156 1.00 30.41 H new ATOM 0 HB2 PRO A 427 12.322 8.501 -11.775 1.00 32.21 H new ATOM 0 HB3 PRO A 427 13.383 7.400 -10.919 1.00 32.21 H new ATOM 0 HG2 PRO A 427 10.338 7.403 -10.905 1.00 52.22 H new ATOM 0 HG3 PRO A 427 11.395 6.110 -11.435 1.00 52.22 H new ATOM 0 HD2 PRO A 427 10.626 5.932 -8.964 1.00 62.20 H new ATOM 0 HD3 PRO A 427 12.363 5.877 -9.193 1.00 62.20 H new ATOM 530 N PHE A 428 10.406 10.469 -9.228 1.00 22.53 N ATOM 531 CA PHE A 428 9.797 11.839 -9.314 1.00 74.34 C ATOM 532 C PHE A 428 9.771 12.647 -7.962 1.00 11.33 C ATOM 533 O PHE A 428 9.097 13.679 -7.903 1.00 22.53 O ATOM 534 CB PHE A 428 8.363 11.879 -9.962 1.00 42.12 C ATOM 535 CG PHE A 428 7.870 10.667 -10.751 1.00 1.32 C ATOM 536 CD1 PHE A 428 8.131 10.580 -12.115 1.00 25.33 C ATOM 537 CD2 PHE A 428 7.083 9.670 -10.166 1.00 2.00 C ATOM 538 CE1 PHE A 428 7.639 9.526 -12.871 1.00 24.22 C ATOM 539 CE2 PHE A 428 6.596 8.607 -10.927 1.00 32.42 C ATOM 540 CZ PHE A 428 6.875 8.546 -12.278 1.00 63.22 C ATOM 0 H PHE A 428 9.873 9.808 -8.662 1.00 22.53 H new ATOM 0 HA PHE A 428 10.494 12.338 -9.987 1.00 74.34 H new ATOM 0 HB2 PHE A 428 7.646 12.064 -9.162 1.00 42.12 H new ATOM 0 HB3 PHE A 428 8.327 12.741 -10.628 1.00 42.12 H new ATOM 0 HD1 PHE A 428 8.726 11.345 -12.592 1.00 25.33 H new ATOM 0 HD2 PHE A 428 6.850 9.724 -9.113 1.00 2.00 H new ATOM 0 HE1 PHE A 428 7.856 9.474 -13.928 1.00 24.22 H new ATOM 0 HE2 PHE A 428 6.003 7.834 -10.461 1.00 32.42 H new ATOM 0 HZ PHE A 428 6.493 7.728 -12.871 1.00 63.22 H new ATOM 550 N GLY A 429 10.512 12.236 -6.896 1.00 71.53 N ATOM 551 CA GLY A 429 10.716 13.111 -5.718 1.00 64.33 C ATOM 552 C GLY A 429 10.389 12.476 -4.342 1.00 0.23 C ATOM 553 O GLY A 429 10.316 11.249 -4.240 1.00 23.41 O ATOM 0 H GLY A 429 10.967 11.325 -6.832 1.00 71.53 H new ATOM 0 HA2 GLY A 429 11.756 13.439 -5.708 1.00 64.33 H new ATOM 0 HA3 GLY A 429 10.102 14.003 -5.841 1.00 64.33 H new ATOM 557 N ASN A 430 10.192 13.305 -3.278 1.00 71.33 N ATOM 558 CA ASN A 430 10.202 12.801 -1.880 1.00 32.14 C ATOM 559 C ASN A 430 8.792 12.305 -1.412 1.00 54.44 C ATOM 560 O ASN A 430 7.782 12.970 -1.652 1.00 34.34 O ATOM 561 CB ASN A 430 10.833 13.853 -0.888 1.00 1.43 C ATOM 562 CG ASN A 430 10.115 15.188 -0.764 1.00 23.53 C ATOM 563 OD1 ASN A 430 9.639 15.763 -1.750 1.00 50.03 O ATOM 564 ND2 ASN A 430 10.041 15.693 0.473 1.00 32.02 N ATOM 0 H ASN A 430 10.027 14.308 -3.362 1.00 71.33 H new ATOM 0 HA ASN A 430 10.848 11.923 -1.863 1.00 32.14 H new ATOM 0 HB2 ASN A 430 10.883 13.400 0.102 1.00 1.43 H new ATOM 0 HB3 ASN A 430 11.859 14.046 -1.203 1.00 1.43 H new ATOM 0 HD21 ASN A 430 9.577 16.588 0.632 1.00 32.02 H new ATOM 0 HD22 ASN A 430 10.448 15.183 1.257 1.00 32.02 H new ATOM 571 N VAL A 431 8.735 11.081 -0.811 1.00 10.10 N ATOM 572 CA VAL A 431 7.468 10.372 -0.481 1.00 64.44 C ATOM 573 C VAL A 431 7.198 10.279 1.075 1.00 22.34 C ATOM 574 O VAL A 431 8.149 10.000 1.818 1.00 73.43 O ATOM 575 CB VAL A 431 7.528 8.969 -1.208 1.00 23.32 C ATOM 576 CG1 VAL A 431 8.890 8.318 -1.107 1.00 21.35 C ATOM 577 CG2 VAL A 431 6.505 7.942 -0.750 1.00 44.13 C ATOM 0 H VAL A 431 9.570 10.560 -0.542 1.00 10.10 H new ATOM 0 HA VAL A 431 6.608 10.935 -0.843 1.00 64.44 H new ATOM 0 HB VAL A 431 7.293 9.241 -2.237 1.00 23.32 H new ATOM 0 HG11 VAL A 431 8.874 7.358 -1.623 1.00 21.35 H new ATOM 0 HG12 VAL A 431 9.637 8.965 -1.567 1.00 21.35 H new ATOM 0 HG13 VAL A 431 9.142 8.162 -0.058 1.00 21.35 H new ATOM 0 HG21 VAL A 431 6.638 7.019 -1.315 1.00 44.13 H new ATOM 0 HG22 VAL A 431 6.642 7.740 0.312 1.00 44.13 H new ATOM 0 HG23 VAL A 431 5.500 8.329 -0.919 1.00 44.13 H new ATOM 587 N ILE A 432 5.920 10.495 1.589 1.00 4.22 N ATOM 588 CA ILE A 432 5.687 10.536 3.070 1.00 23.51 C ATOM 589 C ILE A 432 4.938 9.267 3.668 1.00 13.54 C ATOM 590 O ILE A 432 5.064 9.012 4.872 1.00 15.11 O ATOM 591 CB ILE A 432 4.917 11.836 3.563 1.00 64.55 C ATOM 592 CG1 ILE A 432 4.979 13.003 2.538 1.00 11.21 C ATOM 593 CG2 ILE A 432 5.506 12.342 4.876 1.00 44.35 C ATOM 594 CD1 ILE A 432 4.553 14.402 3.045 1.00 52.04 C ATOM 0 H ILE A 432 5.085 10.635 1.020 1.00 4.22 H new ATOM 0 HA ILE A 432 6.707 10.545 3.454 1.00 23.51 H new ATOM 0 HB ILE A 432 3.877 11.534 3.687 1.00 64.55 H new ATOM 0 HG12 ILE A 432 6.001 13.074 2.165 1.00 11.21 H new ATOM 0 HG13 ILE A 432 4.347 12.743 1.689 1.00 11.21 H new ATOM 0 HG21 ILE A 432 4.966 13.232 5.198 1.00 44.35 H new ATOM 0 HG22 ILE A 432 5.415 11.568 5.638 1.00 44.35 H new ATOM 0 HG23 ILE A 432 6.558 12.588 4.732 1.00 44.35 H new ATOM 0 HD11 ILE A 432 4.642 15.125 2.234 1.00 52.04 H new ATOM 0 HD12 ILE A 432 3.519 14.366 3.387 1.00 52.04 H new ATOM 0 HD13 ILE A 432 5.198 14.702 3.871 1.00 52.04 H new ATOM 606 N SER A 433 4.151 8.496 2.866 1.00 35.10 N ATOM 607 CA SER A 433 3.416 7.279 3.340 1.00 54.41 C ATOM 608 C SER A 433 3.603 6.058 2.373 1.00 2.13 C ATOM 609 O SER A 433 3.386 6.187 1.169 1.00 61.51 O ATOM 610 CB SER A 433 1.900 7.664 3.450 1.00 22.43 C ATOM 611 OG SER A 433 1.714 8.798 4.283 1.00 72.11 O ATOM 0 H SER A 433 4.006 8.696 1.876 1.00 35.10 H new ATOM 0 HA SER A 433 3.816 6.967 4.305 1.00 54.41 H new ATOM 0 HB2 SER A 433 1.502 7.871 2.456 1.00 22.43 H new ATOM 0 HB3 SER A 433 1.337 6.821 3.849 1.00 22.43 H new ATOM 0 HG SER A 433 0.789 9.112 4.206 1.00 72.11 H new ATOM 617 N ALA A 434 4.040 4.881 2.939 1.00 15.24 N ATOM 618 CA ALA A 434 4.024 3.531 2.237 1.00 1.42 C ATOM 619 C ALA A 434 3.489 2.383 3.198 1.00 50.33 C ATOM 620 O ALA A 434 4.096 2.176 4.250 1.00 43.02 O ATOM 621 CB ALA A 434 5.428 3.145 1.683 1.00 20.31 C ATOM 0 H ALA A 434 4.412 4.834 3.888 1.00 15.24 H new ATOM 0 HA ALA A 434 3.341 3.629 1.393 1.00 1.42 H new ATOM 0 HB1 ALA A 434 5.370 2.175 1.190 1.00 20.31 H new ATOM 0 HB2 ALA A 434 5.756 3.898 0.966 1.00 20.31 H new ATOM 0 HB3 ALA A 434 6.142 3.092 2.505 1.00 20.31 H new ATOM 627 N LYS A 435 2.336 1.670 2.887 1.00 5.41 N ATOM 628 CA LYS A 435 1.865 0.482 3.685 1.00 62.01 C ATOM 629 C LYS A 435 0.940 -0.477 2.831 1.00 45.31 C ATOM 630 O LYS A 435 0.049 0.024 2.129 1.00 62.30 O ATOM 631 CB LYS A 435 1.190 0.895 5.063 1.00 73.35 C ATOM 632 CG LYS A 435 -0.099 1.730 5.094 1.00 1.12 C ATOM 633 CD LYS A 435 -1.336 0.837 5.022 1.00 24.31 C ATOM 634 CE LYS A 435 -2.693 1.568 5.030 1.00 34.14 C ATOM 635 NZ LYS A 435 -2.823 2.612 6.087 1.00 4.13 N ATOM 0 H LYS A 435 1.731 1.902 2.099 1.00 5.41 H new ATOM 0 HA LYS A 435 2.759 -0.086 3.944 1.00 62.01 H new ATOM 0 HB2 LYS A 435 0.986 -0.027 5.608 1.00 73.35 H new ATOM 0 HB3 LYS A 435 1.939 1.443 5.634 1.00 73.35 H new ATOM 0 HG2 LYS A 435 -0.129 2.324 6.007 1.00 1.12 H new ATOM 0 HG3 LYS A 435 -0.103 2.429 4.258 1.00 1.12 H new ATOM 0 HD2 LYS A 435 -1.274 0.235 4.115 1.00 24.31 H new ATOM 0 HD3 LYS A 435 -1.312 0.146 5.865 1.00 24.31 H new ATOM 0 HE2 LYS A 435 -2.848 2.033 4.056 1.00 34.14 H new ATOM 0 HE3 LYS A 435 -3.487 0.833 5.162 1.00 34.14 H new ATOM 0 HZ1 LYS A 435 -3.762 3.055 6.024 1.00 4.13 H new ATOM 0 HZ2 LYS A 435 -2.709 2.174 7.023 1.00 4.13 H new ATOM 0 HZ3 LYS A 435 -2.089 3.336 5.952 1.00 4.13 H new ATOM 649 N VAL A 436 1.144 -1.846 2.846 1.00 73.33 N ATOM 650 CA VAL A 436 0.057 -2.780 2.344 1.00 24.42 C ATOM 651 C VAL A 436 -0.755 -3.309 3.577 1.00 34.52 C ATOM 652 O VAL A 436 -0.418 -4.314 4.206 1.00 1.20 O ATOM 653 CB VAL A 436 0.610 -3.990 1.413 1.00 14.21 C ATOM 654 CG1 VAL A 436 -0.357 -5.178 1.271 1.00 54.22 C ATOM 655 CG2 VAL A 436 0.931 -3.565 -0.039 1.00 0.21 C ATOM 0 H VAL A 436 1.993 -2.305 3.177 1.00 73.33 H new ATOM 0 HA VAL A 436 -0.598 -2.212 1.683 1.00 24.42 H new ATOM 0 HB VAL A 436 1.510 -4.283 1.954 1.00 14.21 H new ATOM 0 HG11 VAL A 436 0.093 -5.939 0.633 1.00 54.22 H new ATOM 0 HG12 VAL A 436 -0.559 -5.602 2.255 1.00 54.22 H new ATOM 0 HG13 VAL A 436 -1.291 -4.836 0.824 1.00 54.22 H new ATOM 0 HG21 VAL A 436 1.295 -4.427 -0.598 1.00 0.21 H new ATOM 0 HG22 VAL A 436 0.028 -3.179 -0.513 1.00 0.21 H new ATOM 0 HG23 VAL A 436 1.696 -2.789 -0.030 1.00 0.21 H new ATOM 665 N PHE A 437 -1.721 -2.472 4.016 1.00 43.21 N ATOM 666 CA PHE A 437 -2.945 -2.839 4.770 1.00 53.30 C ATOM 667 C PHE A 437 -4.248 -2.285 4.132 1.00 12.50 C ATOM 668 O PHE A 437 -4.193 -1.293 3.426 1.00 41.54 O ATOM 669 CB PHE A 437 -2.874 -2.450 6.257 1.00 75.24 C ATOM 670 CG PHE A 437 -2.302 -3.544 7.148 1.00 60.24 C ATOM 671 CD1 PHE A 437 -3.087 -4.625 7.572 1.00 52.03 C ATOM 672 CD2 PHE A 437 -0.982 -3.493 7.573 1.00 45.35 C ATOM 673 CE1 PHE A 437 -2.556 -5.616 8.393 1.00 54.32 C ATOM 674 CE2 PHE A 437 -0.455 -4.480 8.387 1.00 32.13 C ATOM 675 CZ PHE A 437 -1.242 -5.538 8.791 1.00 1.13 C ATOM 0 H PHE A 437 -1.667 -1.468 3.846 1.00 43.21 H new ATOM 0 HA PHE A 437 -2.986 -3.927 4.710 1.00 53.30 H new ATOM 0 HB2 PHE A 437 -2.263 -1.553 6.360 1.00 75.24 H new ATOM 0 HB3 PHE A 437 -3.875 -2.196 6.605 1.00 75.24 H new ATOM 0 HD1 PHE A 437 -4.118 -4.690 7.257 1.00 52.03 H new ATOM 0 HD2 PHE A 437 -0.356 -2.669 7.263 1.00 45.35 H new ATOM 0 HE1 PHE A 437 -3.173 -6.442 8.716 1.00 54.32 H new ATOM 0 HE2 PHE A 437 0.575 -4.422 8.707 1.00 32.13 H new ATOM 0 HZ PHE A 437 -0.825 -6.308 9.422 1.00 1.13 H new ATOM 866 N GLY A 449 -3.378 -0.688 -1.982 1.00 40.21 N ATOM 867 CA GLY A 449 -2.320 0.139 -1.297 1.00 70.01 C ATOM 868 C GLY A 449 -2.261 1.662 -1.494 1.00 21.01 C ATOM 869 O GLY A 449 -2.854 2.234 -2.410 1.00 34.40 O ATOM 0 HA2 GLY A 449 -2.416 -0.042 -0.226 1.00 70.01 H new ATOM 0 HA3 GLY A 449 -1.353 -0.261 -1.603 1.00 70.01 H new ATOM 873 N PHE A 450 -1.469 2.294 -0.570 1.00 73.13 N ATOM 874 CA PHE A 450 -1.567 3.746 -0.230 1.00 24.24 C ATOM 875 C PHE A 450 -0.204 4.531 -0.433 1.00 42.15 C ATOM 876 O PHE A 450 0.783 4.146 0.194 1.00 44.13 O ATOM 877 CB PHE A 450 -2.044 3.794 1.249 1.00 22.14 C ATOM 878 CG PHE A 450 -3.432 3.203 1.459 1.00 43.03 C ATOM 879 CD1 PHE A 450 -4.585 3.952 1.306 1.00 14.31 C ATOM 880 CD2 PHE A 450 -3.577 1.865 1.749 1.00 4.43 C ATOM 881 CE1 PHE A 450 -5.826 3.364 1.438 1.00 31.12 C ATOM 882 CE2 PHE A 450 -4.806 1.286 1.892 1.00 32.14 C ATOM 883 CZ PHE A 450 -5.931 2.031 1.735 1.00 11.10 C ATOM 0 H PHE A 450 -0.745 1.807 -0.042 1.00 73.13 H new ATOM 0 HA PHE A 450 -2.264 4.248 -0.901 1.00 24.24 H new ATOM 0 HB2 PHE A 450 -1.330 3.254 1.871 1.00 22.14 H new ATOM 0 HB3 PHE A 450 -2.043 4.830 1.589 1.00 22.14 H new ATOM 0 HD1 PHE A 450 -4.513 5.006 1.081 1.00 14.31 H new ATOM 0 HD2 PHE A 450 -2.693 1.255 1.867 1.00 4.43 H new ATOM 0 HE1 PHE A 450 -6.719 3.957 1.307 1.00 31.12 H new ATOM 0 HE2 PHE A 450 -4.883 0.235 2.130 1.00 32.14 H new ATOM 0 HZ PHE A 450 -6.904 1.574 1.844 1.00 11.10 H new ATOM 893 N VAL A 451 -0.128 5.638 -1.300 1.00 53.22 N ATOM 894 CA VAL A 451 1.201 6.323 -1.603 1.00 22.42 C ATOM 895 C VAL A 451 0.988 7.906 -1.760 1.00 72.42 C ATOM 896 O VAL A 451 0.189 8.304 -2.605 1.00 63.03 O ATOM 897 CB VAL A 451 1.932 5.771 -2.937 1.00 32.23 C ATOM 898 CG1 VAL A 451 3.470 5.925 -2.917 1.00 54.42 C ATOM 899 CG2 VAL A 451 1.571 4.338 -3.278 1.00 61.12 C ATOM 0 H VAL A 451 -0.933 6.049 -1.773 1.00 53.22 H new ATOM 0 HA VAL A 451 1.847 6.093 -0.756 1.00 22.42 H new ATOM 0 HB VAL A 451 1.541 6.418 -3.722 1.00 32.23 H new ATOM 0 HG11 VAL A 451 3.887 5.533 -3.844 1.00 54.42 H new ATOM 0 HG12 VAL A 451 3.729 6.979 -2.820 1.00 54.42 H new ATOM 0 HG13 VAL A 451 3.880 5.372 -2.072 1.00 54.42 H new ATOM 0 HG21 VAL A 451 2.098 4.036 -4.183 1.00 61.12 H new ATOM 0 HG22 VAL A 451 1.860 3.684 -2.455 1.00 61.12 H new ATOM 0 HG23 VAL A 451 0.496 4.263 -3.441 1.00 61.12 H new ATOM 909 N SER A 452 1.655 8.839 -0.989 1.00 33.42 N ATOM 910 CA SER A 452 1.420 10.299 -1.193 1.00 22.42 C ATOM 911 C SER A 452 2.777 11.074 -1.573 1.00 62.13 C ATOM 912 O SER A 452 3.855 10.503 -1.371 1.00 3.34 O ATOM 913 CB SER A 452 0.808 10.902 0.074 1.00 12.55 C ATOM 914 OG SER A 452 1.754 10.986 1.133 1.00 15.03 O ATOM 0 H SER A 452 2.327 8.610 -0.257 1.00 33.42 H new ATOM 0 HA SER A 452 0.730 10.416 -2.028 1.00 22.42 H new ATOM 0 HB2 SER A 452 0.422 11.897 -0.148 1.00 12.55 H new ATOM 0 HB3 SER A 452 -0.040 10.295 0.392 1.00 12.55 H new ATOM 0 HG SER A 452 1.326 11.377 1.923 1.00 15.03 H new ATOM 920 N TYR A 453 2.745 12.363 -2.089 1.00 73.21 N ATOM 921 CA TYR A 453 3.982 13.175 -2.406 1.00 35.54 C ATOM 922 C TYR A 453 3.872 14.601 -1.790 1.00 40.02 C ATOM 923 O TYR A 453 2.839 14.905 -1.185 1.00 51.32 O ATOM 924 CB TYR A 453 4.153 13.343 -3.920 1.00 21.34 C ATOM 925 CG TYR A 453 4.602 12.154 -4.754 1.00 63.30 C ATOM 926 CD1 TYR A 453 5.889 11.575 -4.738 1.00 23.02 C ATOM 927 CD2 TYR A 453 3.680 11.627 -5.599 1.00 71.14 C ATOM 928 CE1 TYR A 453 6.176 10.494 -5.566 1.00 54.12 C ATOM 929 CE2 TYR A 453 3.939 10.569 -6.404 1.00 4.11 C ATOM 930 CZ TYR A 453 5.186 9.994 -6.396 1.00 21.32 C ATOM 931 OH TYR A 453 5.439 8.917 -7.201 1.00 71.02 O ATOM 0 H TYR A 453 1.875 12.856 -2.292 1.00 73.21 H new ATOM 0 HA TYR A 453 4.833 12.639 -1.986 1.00 35.54 H new ATOM 0 HB2 TYR A 453 3.199 13.683 -4.322 1.00 21.34 H new ATOM 0 HB3 TYR A 453 4.872 14.147 -4.081 1.00 21.34 H new ATOM 0 HD1 TYR A 453 6.651 11.971 -4.083 1.00 23.02 H new ATOM 0 HD2 TYR A 453 2.696 12.071 -5.631 1.00 71.14 H new ATOM 0 HE1 TYR A 453 7.160 10.050 -5.562 1.00 54.12 H new ATOM 0 HE2 TYR A 453 3.167 10.179 -7.050 1.00 4.11 H new ATOM 0 HH TYR A 453 6.368 8.629 -7.080 1.00 71.02 H new ATOM 941 N ASP A 454 4.922 15.484 -1.942 1.00 21.22 N ATOM 942 CA ASP A 454 4.914 16.812 -1.293 1.00 3.33 C ATOM 943 C ASP A 454 4.212 17.980 -2.074 1.00 14.02 C ATOM 944 O ASP A 454 3.776 18.925 -1.403 1.00 44.12 O ATOM 945 CB ASP A 454 6.340 17.225 -0.869 1.00 30.11 C ATOM 946 CG ASP A 454 6.811 16.458 0.368 1.00 10.35 C ATOM 947 OD1 ASP A 454 6.887 15.224 0.319 1.00 61.45 O ATOM 948 OD2 ASP A 454 7.141 17.105 1.385 1.00 64.24 O ATOM 0 H ASP A 454 5.755 15.290 -2.497 1.00 21.22 H new ATOM 0 HA ASP A 454 4.278 16.663 -0.420 1.00 3.33 H new ATOM 0 HB2 ASP A 454 7.030 17.045 -1.693 1.00 30.11 H new ATOM 0 HB3 ASP A 454 6.362 18.295 -0.663 1.00 30.11 H new ATOM 953 N ASN A 455 4.047 17.966 -3.450 1.00 32.40 N ATOM 954 CA ASN A 455 3.345 19.112 -4.128 1.00 60.42 C ATOM 955 C ASN A 455 2.564 18.760 -5.439 1.00 41.24 C ATOM 956 O ASN A 455 2.987 17.833 -6.132 1.00 32.14 O ATOM 957 CB ASN A 455 4.234 20.374 -4.264 1.00 1.15 C ATOM 958 CG ASN A 455 5.548 20.276 -5.049 1.00 72.31 C ATOM 959 OD1 ASN A 455 6.332 19.201 -4.900 1.00 22.21 O flip ATOM 960 ND2 ASN A 455 5.880 21.206 -5.783 1.00 4.15 N flip ATOM 0 H ASN A 455 4.369 17.223 -4.070 1.00 32.40 H new ATOM 0 HA ASN A 455 2.548 19.365 -3.429 1.00 60.42 H new ATOM 0 HB2 ASN A 455 3.630 21.153 -4.729 1.00 1.15 H new ATOM 0 HB3 ASN A 455 4.476 20.716 -3.258 1.00 1.15 H new ATOM 0 HD21 ASN A 455 5.271 22.018 -5.885 1.00 4.15 H new ATOM 0 HD22 ASN A 455 6.764 21.165 -6.289 1.00 4.15 H new ATOM 967 N PRO A 456 1.355 19.440 -5.804 1.00 2.24 N ATOM 968 CA PRO A 456 0.540 19.027 -6.985 1.00 62.33 C ATOM 969 C PRO A 456 1.232 18.955 -8.409 1.00 4.01 C ATOM 970 O PRO A 456 0.608 18.427 -9.332 1.00 42.44 O ATOM 971 CB PRO A 456 -0.688 19.994 -6.972 1.00 24.33 C ATOM 972 CG PRO A 456 -0.359 21.071 -6.032 1.00 73.32 C ATOM 973 CD PRO A 456 0.520 20.428 -5.022 1.00 75.41 C ATOM 0 HA PRO A 456 0.296 17.972 -6.862 1.00 62.33 H new ATOM 0 HB2 PRO A 456 -0.878 20.393 -7.968 1.00 24.33 H new ATOM 0 HB3 PRO A 456 -1.592 19.470 -6.661 1.00 24.33 H new ATOM 0 HG2 PRO A 456 0.149 21.894 -6.534 1.00 73.32 H new ATOM 0 HG3 PRO A 456 -1.257 21.484 -5.572 1.00 73.32 H new ATOM 0 HD2 PRO A 456 1.147 21.164 -4.519 1.00 75.41 H new ATOM 0 HD3 PRO A 456 -0.065 19.927 -4.251 1.00 75.41 H new ATOM 981 N VAL A 457 2.502 19.438 -8.603 1.00 5.24 N ATOM 982 CA VAL A 457 3.214 19.261 -9.918 1.00 23.21 C ATOM 983 C VAL A 457 3.744 17.772 -10.071 1.00 0.41 C ATOM 984 O VAL A 457 3.693 17.226 -11.176 1.00 35.42 O ATOM 985 CB VAL A 457 4.380 20.337 -10.190 1.00 54.42 C ATOM 986 CG1 VAL A 457 5.108 20.128 -11.529 1.00 24.31 C ATOM 987 CG2 VAL A 457 3.888 21.797 -10.222 1.00 34.50 C ATOM 0 H VAL A 457 3.039 19.936 -7.893 1.00 5.24 H new ATOM 0 HA VAL A 457 2.470 19.454 -10.691 1.00 23.21 H new ATOM 0 HB VAL A 457 5.048 20.169 -9.345 1.00 54.42 H new ATOM 0 HG11 VAL A 457 5.880 20.888 -11.646 1.00 24.31 H new ATOM 0 HG12 VAL A 457 5.567 19.139 -11.543 1.00 24.31 H new ATOM 0 HG13 VAL A 457 4.393 20.208 -12.348 1.00 24.31 H new ATOM 0 HG21 VAL A 457 4.732 22.461 -10.410 1.00 34.50 H new ATOM 0 HG22 VAL A 457 3.150 21.915 -11.015 1.00 34.50 H new ATOM 0 HG23 VAL A 457 3.434 22.049 -9.264 1.00 34.50 H new ATOM 997 N SER A 458 4.186 17.082 -8.970 1.00 4.50 N ATOM 998 CA SER A 458 4.705 15.675 -9.097 1.00 50.04 C ATOM 999 C SER A 458 3.596 14.576 -9.349 1.00 53.42 C ATOM 1000 O SER A 458 3.901 13.543 -9.948 1.00 25.25 O ATOM 1001 CB SER A 458 5.652 15.286 -7.916 1.00 2.42 C ATOM 1002 OG SER A 458 5.166 15.759 -6.673 1.00 75.40 O ATOM 0 H SER A 458 4.195 17.457 -8.021 1.00 4.50 H new ATOM 0 HA SER A 458 5.297 15.687 -10.012 1.00 50.04 H new ATOM 0 HB2 SER A 458 5.757 14.202 -7.876 1.00 2.42 H new ATOM 0 HB3 SER A 458 6.646 15.696 -8.097 1.00 2.42 H new ATOM 0 HG SER A 458 5.783 15.495 -5.959 1.00 75.40 H new ATOM 1008 N ALA A 459 2.325 14.809 -8.913 1.00 2.30 N ATOM 1009 CA ALA A 459 1.176 13.873 -9.162 1.00 65.23 C ATOM 1010 C ALA A 459 0.744 13.756 -10.648 1.00 4.03 C ATOM 1011 O ALA A 459 0.373 12.661 -11.066 1.00 54.14 O ATOM 1012 CB ALA A 459 -0.047 14.155 -8.294 1.00 30.34 C ATOM 0 H ALA A 459 2.064 15.641 -8.384 1.00 2.30 H new ATOM 0 HA ALA A 459 1.591 12.909 -8.868 1.00 65.23 H new ATOM 0 HB1 ALA A 459 -0.834 13.439 -8.531 1.00 30.34 H new ATOM 0 HB2 ALA A 459 0.224 14.062 -7.242 1.00 30.34 H new ATOM 0 HB3 ALA A 459 -0.406 15.166 -8.488 1.00 30.34 H new ATOM 1018 N GLN A 460 0.801 14.862 -11.452 1.00 1.34 N ATOM 1019 CA GLN A 460 0.305 14.843 -12.850 1.00 64.43 C ATOM 1020 C GLN A 460 1.219 13.990 -13.761 1.00 4.44 C ATOM 1021 O GLN A 460 0.717 13.299 -14.650 1.00 3.03 O ATOM 1022 CB GLN A 460 0.060 16.261 -13.452 1.00 63.03 C ATOM 1023 CG GLN A 460 -1.023 17.097 -12.704 1.00 12.34 C ATOM 1024 CD GLN A 460 -2.245 16.300 -12.257 1.00 21.44 C ATOM 1025 OE1 GLN A 460 -3.192 16.117 -13.015 1.00 44.34 O ATOM 1026 NE2 GLN A 460 -2.247 15.874 -10.998 1.00 50.24 N ATOM 0 H GLN A 460 1.181 15.761 -11.154 1.00 1.34 H new ATOM 0 HA GLN A 460 -0.676 14.370 -12.809 1.00 64.43 H new ATOM 0 HB2 GLN A 460 0.999 16.814 -13.443 1.00 63.03 H new ATOM 0 HB3 GLN A 460 -0.237 16.154 -14.495 1.00 63.03 H new ATOM 0 HG2 GLN A 460 -0.566 17.558 -11.828 1.00 12.34 H new ATOM 0 HG3 GLN A 460 -1.352 17.907 -13.355 1.00 12.34 H new ATOM 0 HE21 GLN A 460 -1.439 16.047 -10.400 1.00 50.24 H new ATOM 0 HE22 GLN A 460 -3.057 15.374 -10.630 1.00 50.24 H new ATOM 1035 N ALA A 461 2.556 14.017 -13.518 1.00 12.32 N ATOM 1036 CA ALA A 461 3.502 13.128 -14.246 1.00 4.42 C ATOM 1037 C ALA A 461 3.309 11.616 -13.909 1.00 60.20 C ATOM 1038 O ALA A 461 3.393 10.788 -14.827 1.00 3.14 O ATOM 1039 CB ALA A 461 4.984 13.566 -14.100 1.00 73.03 C ATOM 0 H ALA A 461 2.998 14.633 -12.836 1.00 12.32 H new ATOM 0 HA ALA A 461 3.244 13.245 -15.299 1.00 4.42 H new ATOM 0 HB1 ALA A 461 5.623 12.878 -14.653 1.00 73.03 H new ATOM 0 HB2 ALA A 461 5.106 14.574 -14.497 1.00 73.03 H new ATOM 0 HB3 ALA A 461 5.265 13.554 -13.047 1.00 73.03 H new ATOM 1045 N ALA A 462 3.051 11.245 -12.621 1.00 54.24 N ATOM 1046 CA ALA A 462 2.780 9.831 -12.269 1.00 31.04 C ATOM 1047 C ALA A 462 1.433 9.256 -12.791 1.00 24.20 C ATOM 1048 O ALA A 462 1.398 8.068 -13.054 1.00 60.13 O ATOM 1049 CB ALA A 462 2.976 9.543 -10.766 1.00 74.22 C ATOM 0 H ALA A 462 3.026 11.891 -11.832 1.00 54.24 H new ATOM 0 HA ALA A 462 3.545 9.284 -12.820 1.00 31.04 H new ATOM 0 HB1 ALA A 462 2.764 8.493 -10.566 1.00 74.22 H new ATOM 0 HB2 ALA A 462 4.005 9.765 -10.484 1.00 74.22 H new ATOM 0 HB3 ALA A 462 2.298 10.167 -10.184 1.00 74.22 H new ATOM 1055 N ILE A 463 0.340 10.059 -12.985 1.00 42.01 N ATOM 1056 CA ILE A 463 -0.919 9.530 -13.533 1.00 23.32 C ATOM 1057 C ILE A 463 -0.700 8.983 -15.000 1.00 13.42 C ATOM 1058 O ILE A 463 -1.250 7.939 -15.297 1.00 31.04 O ATOM 1059 CB ILE A 463 -2.131 10.585 -13.398 1.00 32.15 C ATOM 1060 CG1 ILE A 463 -2.461 10.870 -11.860 1.00 72.23 C ATOM 1061 CG2 ILE A 463 -3.415 10.181 -14.195 1.00 31.33 C ATOM 1062 CD1 ILE A 463 -3.698 11.726 -11.541 1.00 35.34 C ATOM 0 H ILE A 463 0.320 11.056 -12.769 1.00 42.01 H new ATOM 0 HA ILE A 463 -1.229 8.677 -12.930 1.00 23.32 H new ATOM 0 HB ILE A 463 -1.784 11.508 -13.862 1.00 32.15 H new ATOM 0 HG12 ILE A 463 -2.580 9.909 -11.359 1.00 72.23 H new ATOM 0 HG13 ILE A 463 -1.593 11.356 -11.415 1.00 72.23 H new ATOM 0 HG21 ILE A 463 -4.185 10.940 -14.054 1.00 31.33 H new ATOM 0 HG22 ILE A 463 -3.175 10.100 -15.255 1.00 31.33 H new ATOM 0 HG23 ILE A 463 -3.782 9.221 -13.832 1.00 31.33 H new ATOM 0 HD11 ILE A 463 -3.796 11.835 -10.461 1.00 35.34 H new ATOM 0 HD12 ILE A 463 -3.587 12.710 -11.996 1.00 35.34 H new ATOM 0 HD13 ILE A 463 -4.589 11.240 -11.939 1.00 35.34 H new ATOM 1074 N GLN A 464 0.175 9.599 -15.881 1.00 61.13 N ATOM 1075 CA GLN A 464 0.421 9.014 -17.254 1.00 45.22 C ATOM 1076 C GLN A 464 1.342 7.738 -17.299 1.00 71.01 C ATOM 1077 O GLN A 464 1.013 6.807 -18.040 1.00 13.32 O ATOM 1078 CB GLN A 464 0.882 10.088 -18.289 1.00 24.41 C ATOM 1079 CG GLN A 464 0.330 9.849 -19.708 1.00 42.03 C ATOM 1080 CD GLN A 464 -0.431 11.050 -20.281 1.00 3.22 C ATOM 1081 OE1 GLN A 464 -1.072 11.863 -19.425 1.00 14.04 O flip ATOM 1082 NE2 GLN A 464 -0.455 11.236 -21.493 1.00 31.43 N flip ATOM 0 H GLN A 464 0.694 10.453 -15.678 1.00 61.13 H new ATOM 0 HA GLN A 464 -0.563 8.652 -17.550 1.00 45.22 H new ATOM 0 HB2 GLN A 464 0.565 11.073 -17.945 1.00 24.41 H new ATOM 0 HB3 GLN A 464 1.971 10.100 -18.328 1.00 24.41 H new ATOM 0 HG2 GLN A 464 1.157 9.602 -20.374 1.00 42.03 H new ATOM 0 HG3 GLN A 464 -0.333 8.984 -19.690 1.00 42.03 H new ATOM 0 HE21 GLN A 464 0.042 10.600 -22.116 1.00 31.43 H new ATOM 0 HE22 GLN A 464 -0.972 12.027 -21.877 1.00 31.43 H new ATOM 1091 N ALA A 465 2.474 7.660 -16.559 1.00 5.43 N ATOM 1092 CA ALA A 465 3.311 6.399 -16.556 1.00 40.23 C ATOM 1093 C ALA A 465 2.727 5.231 -15.654 1.00 62.41 C ATOM 1094 O ALA A 465 3.260 4.118 -15.643 1.00 11.34 O ATOM 1095 CB ALA A 465 4.798 6.694 -16.217 1.00 41.13 C ATOM 0 H ALA A 465 2.833 8.414 -15.973 1.00 5.43 H new ATOM 0 HA ALA A 465 3.264 6.025 -17.579 1.00 40.23 H new ATOM 0 HB1 ALA A 465 5.365 5.763 -16.225 1.00 41.13 H new ATOM 0 HB2 ALA A 465 5.212 7.377 -16.959 1.00 41.13 H new ATOM 0 HB3 ALA A 465 4.862 7.149 -15.229 1.00 41.13 H new ATOM 1101 N MET A 466 1.612 5.502 -14.935 1.00 53.11 N ATOM 1102 CA MET A 466 0.939 4.550 -13.981 1.00 3.43 C ATOM 1103 C MET A 466 -0.519 4.199 -14.379 1.00 50.12 C ATOM 1104 O MET A 466 -1.096 3.301 -13.762 1.00 45.30 O ATOM 1105 CB MET A 466 0.961 5.056 -12.496 1.00 1.21 C ATOM 1106 CG MET A 466 2.249 4.801 -11.685 1.00 13.33 C ATOM 1107 SD MET A 466 3.770 5.415 -12.419 1.00 23.11 S ATOM 1108 CE MET A 466 4.924 4.228 -11.733 1.00 20.41 C ATOM 0 H MET A 466 1.136 6.402 -14.993 1.00 53.11 H new ATOM 0 HA MET A 466 1.537 3.641 -14.052 1.00 3.43 H new ATOM 0 HB2 MET A 466 0.772 6.129 -12.502 1.00 1.21 H new ATOM 0 HB3 MET A 466 0.130 4.589 -11.967 1.00 1.21 H new ATOM 0 HG2 MET A 466 2.133 5.256 -10.702 1.00 13.33 H new ATOM 0 HG3 MET A 466 2.351 3.727 -11.529 1.00 13.33 H new ATOM 0 HE1 MET A 466 5.931 4.455 -12.084 1.00 20.41 H new ATOM 0 HE2 MET A 466 4.898 4.282 -10.645 1.00 20.41 H new ATOM 0 HE3 MET A 466 4.646 3.224 -12.053 1.00 20.41 H new ATOM 1118 N ASN A 467 -1.163 4.878 -15.367 1.00 71.14 N ATOM 1119 CA ASN A 467 -2.399 4.328 -15.909 1.00 0.22 C ATOM 1120 C ASN A 467 -2.034 3.201 -16.973 1.00 41.30 C ATOM 1121 O ASN A 467 -1.264 3.487 -17.893 1.00 15.44 O ATOM 1122 CB ASN A 467 -3.401 5.407 -16.477 1.00 72.34 C ATOM 1123 CG ASN A 467 -2.888 6.503 -17.432 1.00 11.11 C ATOM 1124 OD1 ASN A 467 -3.403 7.616 -17.395 1.00 53.44 O ATOM 1125 ND2 ASN A 467 -1.943 6.233 -18.305 1.00 62.24 N ATOM 0 H ASN A 467 -0.854 5.760 -15.776 1.00 71.14 H new ATOM 0 HA ASN A 467 -2.955 3.884 -15.084 1.00 0.22 H new ATOM 0 HB2 ASN A 467 -4.196 4.871 -16.995 1.00 72.34 H new ATOM 0 HB3 ASN A 467 -3.858 5.908 -15.623 1.00 72.34 H new ATOM 0 HD21 ASN A 467 -1.632 6.952 -18.959 1.00 62.24 H new ATOM 0 HD22 ASN A 467 -1.520 5.305 -18.329 1.00 62.24 H new ATOM 1132 N GLY A 468 -2.529 1.921 -16.869 1.00 54.40 N ATOM 1133 CA GLY A 468 -2.147 0.871 -17.837 1.00 5.22 C ATOM 1134 C GLY A 468 -0.893 -0.002 -17.566 1.00 44.40 C ATOM 1135 O GLY A 468 -0.489 -0.668 -18.516 1.00 62.12 O ATOM 0 H GLY A 468 -3.174 1.613 -16.141 1.00 54.40 H new ATOM 0 HA2 GLY A 468 -2.998 0.197 -17.940 1.00 5.22 H new ATOM 0 HA3 GLY A 468 -2.005 1.355 -18.804 1.00 5.22 H new ATOM 1139 N PHE A 469 -0.260 -0.027 -16.354 1.00 23.41 N ATOM 1140 CA PHE A 469 1.042 -0.772 -16.191 1.00 70.11 C ATOM 1141 C PHE A 469 0.803 -2.309 -16.386 1.00 71.51 C ATOM 1142 O PHE A 469 0.131 -2.931 -15.555 1.00 14.15 O ATOM 1143 CB PHE A 469 1.715 -0.502 -14.775 1.00 21.41 C ATOM 1144 CG PHE A 469 3.246 -0.683 -14.593 1.00 45.05 C ATOM 1145 CD1 PHE A 469 4.136 -1.114 -15.594 1.00 14.21 C ATOM 1146 CD2 PHE A 469 3.803 -0.366 -13.349 1.00 42.21 C ATOM 1147 CE1 PHE A 469 5.508 -1.214 -15.334 1.00 21.43 C ATOM 1148 CE2 PHE A 469 5.160 -0.458 -13.107 1.00 4.31 C ATOM 1149 CZ PHE A 469 6.006 -0.879 -14.096 1.00 32.31 C ATOM 0 H PHE A 469 -0.603 0.433 -15.511 1.00 23.41 H new ATOM 0 HA PHE A 469 1.729 -0.404 -16.954 1.00 70.11 H new ATOM 0 HB2 PHE A 469 1.475 0.523 -14.493 1.00 21.41 H new ATOM 0 HB3 PHE A 469 1.224 -1.155 -14.054 1.00 21.41 H new ATOM 0 HD1 PHE A 469 3.757 -1.370 -16.572 1.00 14.21 H new ATOM 0 HD2 PHE A 469 3.151 -0.039 -12.553 1.00 42.21 H new ATOM 0 HE1 PHE A 469 6.178 -1.556 -16.109 1.00 21.43 H new ATOM 0 HE2 PHE A 469 5.553 -0.197 -12.136 1.00 4.31 H new ATOM 0 HZ PHE A 469 7.067 -0.949 -13.905 1.00 32.31 H new ATOM 1159 N GLN A 470 1.324 -2.917 -17.485 1.00 12.42 N ATOM 1160 CA GLN A 470 1.050 -4.344 -17.784 1.00 40.43 C ATOM 1161 C GLN A 470 2.185 -5.272 -17.250 1.00 24.20 C ATOM 1162 O GLN A 470 3.337 -5.116 -17.663 1.00 73.03 O ATOM 1163 CB GLN A 470 0.953 -4.564 -19.324 1.00 54.21 C ATOM 1164 CG GLN A 470 -0.388 -5.035 -19.877 1.00 3.33 C ATOM 1165 CD GLN A 470 -0.233 -5.832 -21.128 1.00 41.42 C ATOM 1166 OE1 GLN A 470 -0.258 -5.307 -22.241 1.00 23.00 O ATOM 1167 NE2 GLN A 470 -0.070 -7.115 -20.947 1.00 62.23 N ATOM 0 H GLN A 470 1.924 -2.450 -18.165 1.00 12.42 H new ATOM 0 HA GLN A 470 0.110 -4.594 -17.293 1.00 40.43 H new ATOM 0 HB2 GLN A 470 1.211 -3.626 -19.816 1.00 54.21 H new ATOM 0 HB3 GLN A 470 1.711 -5.293 -19.610 1.00 54.21 H new ATOM 0 HG2 GLN A 470 -0.898 -5.638 -19.125 1.00 3.33 H new ATOM 0 HG3 GLN A 470 -1.021 -4.170 -20.075 1.00 3.33 H new ATOM 0 HE21 GLN A 470 -0.057 -7.499 -20.002 1.00 62.23 H new ATOM 0 HE22 GLN A 470 0.044 -7.733 -21.750 1.00 62.23 H new ATOM 1176 N ILE A 471 1.883 -6.247 -16.342 1.00 21.12 N ATOM 1177 CA ILE A 471 2.920 -7.156 -15.771 1.00 11.03 C ATOM 1178 C ILE A 471 2.226 -8.545 -15.508 1.00 74.20 C ATOM 1179 O ILE A 471 1.632 -8.716 -14.435 1.00 74.33 O ATOM 1180 CB ILE A 471 3.531 -6.624 -14.384 1.00 62.25 C ATOM 1181 CG1 ILE A 471 3.598 -5.063 -14.355 1.00 32.21 C ATOM 1182 CG2 ILE A 471 4.929 -7.197 -14.109 1.00 15.13 C ATOM 1183 CD1 ILE A 471 4.240 -4.397 -13.149 1.00 21.31 C ATOM 0 H ILE A 471 0.940 -6.421 -15.994 1.00 21.12 H new ATOM 0 HA ILE A 471 3.746 -7.220 -16.480 1.00 11.03 H new ATOM 0 HB ILE A 471 2.857 -6.971 -13.601 1.00 62.25 H new ATOM 0 HG12 ILE A 471 4.138 -4.736 -15.244 1.00 32.21 H new ATOM 0 HG13 ILE A 471 2.580 -4.684 -14.443 1.00 32.21 H new ATOM 0 HG21 ILE A 471 5.301 -6.809 -13.161 1.00 15.13 H new ATOM 0 HG22 ILE A 471 4.873 -8.284 -14.059 1.00 15.13 H new ATOM 0 HG23 ILE A 471 5.606 -6.905 -14.911 1.00 15.13 H new ATOM 0 HD11 ILE A 471 4.212 -3.314 -13.273 1.00 21.31 H new ATOM 0 HD12 ILE A 471 3.693 -4.673 -12.247 1.00 21.31 H new ATOM 0 HD13 ILE A 471 5.276 -4.726 -13.060 1.00 21.31 H new ATOM 1195 N GLY A 472 2.214 -9.505 -16.493 1.00 21.24 N ATOM 1196 CA GLY A 472 1.588 -10.833 -16.266 1.00 13.11 C ATOM 1197 C GLY A 472 0.010 -10.763 -16.281 1.00 3.30 C ATOM 1198 O GLY A 472 -0.549 -10.196 -17.222 1.00 21.25 O ATOM 0 H GLY A 472 2.620 -9.380 -17.420 1.00 21.24 H new ATOM 0 HA2 GLY A 472 1.926 -11.528 -17.035 1.00 13.11 H new ATOM 0 HA3 GLY A 472 1.923 -11.231 -15.308 1.00 13.11 H new ATOM 1202 N MET A 473 -0.703 -11.293 -15.249 1.00 30.24 N ATOM 1203 CA MET A 473 -2.229 -11.356 -15.253 1.00 51.31 C ATOM 1204 C MET A 473 -2.931 -10.247 -14.394 1.00 31.01 C ATOM 1205 O MET A 473 -4.046 -10.454 -13.904 1.00 34.44 O ATOM 1206 CB MET A 473 -2.747 -12.819 -14.929 1.00 75.00 C ATOM 1207 CG MET A 473 -2.493 -13.452 -13.532 1.00 40.13 C ATOM 1208 SD MET A 473 -3.908 -13.336 -12.421 1.00 43.12 S ATOM 1209 CE MET A 473 -3.183 -14.019 -10.923 1.00 41.55 C ATOM 0 H MET A 473 -0.274 -11.681 -14.409 1.00 30.24 H new ATOM 0 HA MET A 473 -2.533 -11.120 -16.273 1.00 51.31 H new ATOM 0 HB2 MET A 473 -3.825 -12.823 -15.094 1.00 75.00 H new ATOM 0 HB3 MET A 473 -2.309 -13.487 -15.670 1.00 75.00 H new ATOM 0 HG2 MET A 473 -2.227 -14.501 -13.660 1.00 40.13 H new ATOM 0 HG3 MET A 473 -1.637 -12.961 -13.070 1.00 40.13 H new ATOM 0 HE1 MET A 473 -3.928 -14.022 -10.127 1.00 41.55 H new ATOM 0 HE2 MET A 473 -2.850 -15.040 -11.112 1.00 41.55 H new ATOM 0 HE3 MET A 473 -2.331 -13.410 -10.621 1.00 41.55 H new ATOM 1219 N LYS A 474 -2.324 -9.032 -14.284 1.00 23.53 N ATOM 1220 CA LYS A 474 -2.901 -7.923 -13.510 1.00 31.42 C ATOM 1221 C LYS A 474 -2.648 -6.588 -14.263 1.00 54.14 C ATOM 1222 O LYS A 474 -1.603 -6.441 -14.917 1.00 60.34 O ATOM 1223 CB LYS A 474 -2.316 -7.793 -12.065 1.00 21.34 C ATOM 1224 CG LYS A 474 -2.878 -8.741 -10.941 1.00 13.15 C ATOM 1225 CD LYS A 474 -4.250 -8.282 -10.437 1.00 54.34 C ATOM 1226 CE LYS A 474 -4.798 -9.062 -9.222 1.00 14.43 C ATOM 1227 NZ LYS A 474 -3.772 -9.283 -8.164 1.00 70.31 N ATOM 0 H LYS A 474 -1.433 -8.807 -14.727 1.00 23.53 H new ATOM 0 HA LYS A 474 -3.965 -8.138 -13.410 1.00 31.42 H new ATOM 0 HB2 LYS A 474 -1.240 -7.954 -12.127 1.00 21.34 H new ATOM 0 HB3 LYS A 474 -2.466 -6.764 -11.737 1.00 21.34 H new ATOM 0 HG2 LYS A 474 -2.955 -9.757 -11.329 1.00 13.15 H new ATOM 0 HG3 LYS A 474 -2.177 -8.770 -10.107 1.00 13.15 H new ATOM 0 HD2 LYS A 474 -4.188 -7.226 -10.173 1.00 54.34 H new ATOM 0 HD3 LYS A 474 -4.966 -8.364 -11.255 1.00 54.34 H new ATOM 0 HE2 LYS A 474 -5.640 -8.516 -8.796 1.00 14.43 H new ATOM 0 HE3 LYS A 474 -5.180 -10.026 -9.558 1.00 14.43 H new ATOM 0 HZ1 LYS A 474 -4.238 -9.592 -7.287 1.00 70.31 H new ATOM 0 HZ2 LYS A 474 -3.103 -10.015 -8.477 1.00 70.31 H new ATOM 0 HZ3 LYS A 474 -3.258 -8.396 -7.988 1.00 70.31 H new ATOM 1241 N ARG A 475 -3.593 -5.638 -14.218 1.00 3.32 N ATOM 1242 CA ARG A 475 -3.291 -4.237 -14.625 1.00 20.01 C ATOM 1243 C ARG A 475 -3.291 -3.249 -13.377 1.00 54.32 C ATOM 1244 O ARG A 475 -4.340 -3.107 -12.745 1.00 12.32 O ATOM 1245 CB ARG A 475 -4.366 -3.768 -15.720 1.00 73.44 C ATOM 1246 CG ARG A 475 -3.915 -2.817 -16.854 1.00 61.00 C ATOM 1247 CD ARG A 475 -2.917 -3.471 -17.855 1.00 23.11 C ATOM 1248 NE ARG A 475 -2.707 -4.924 -17.607 1.00 51.22 N ATOM 1249 CZ ARG A 475 -3.347 -5.933 -18.252 1.00 3.15 C ATOM 1250 NH1 ARG A 475 -4.247 -5.685 -19.206 1.00 14.44 N ATOM 1251 NH2 ARG A 475 -3.078 -7.200 -17.933 1.00 1.03 N ATOM 0 H ARG A 475 -4.553 -5.796 -13.913 1.00 3.32 H new ATOM 0 HA ARG A 475 -2.290 -4.206 -15.055 1.00 20.01 H new ATOM 0 HB2 ARG A 475 -4.774 -4.665 -16.186 1.00 73.44 H new ATOM 0 HB3 ARG A 475 -5.186 -3.283 -15.190 1.00 73.44 H new ATOM 0 HG2 ARG A 475 -4.794 -2.475 -17.401 1.00 61.00 H new ATOM 0 HG3 ARG A 475 -3.450 -1.935 -16.414 1.00 61.00 H new ATOM 0 HD2 ARG A 475 -3.287 -3.332 -18.871 1.00 23.11 H new ATOM 0 HD3 ARG A 475 -1.959 -2.956 -17.792 1.00 23.11 H new ATOM 0 HE ARG A 475 -2.026 -5.183 -16.893 1.00 51.22 H new ATOM 0 HH11 ARG A 475 -4.466 -4.722 -19.463 1.00 14.44 H new ATOM 0 HH12 ARG A 475 -4.716 -6.458 -19.678 1.00 14.44 H new ATOM 0 HH21 ARG A 475 -2.393 -7.409 -17.206 1.00 1.03 H new ATOM 0 HH22 ARG A 475 -3.557 -7.960 -18.416 1.00 1.03 H new ATOM 1265 N LEU A 476 -2.124 -2.582 -13.016 1.00 74.33 N ATOM 1266 CA LEU A 476 -2.146 -1.364 -12.107 1.00 54.42 C ATOM 1267 C LEU A 476 -3.116 -0.206 -12.644 1.00 0.25 C ATOM 1268 O LEU A 476 -2.911 0.287 -13.760 1.00 21.24 O ATOM 1269 CB LEU A 476 -0.694 -0.772 -12.071 1.00 4.33 C ATOM 1270 CG LEU A 476 -0.278 0.248 -10.978 1.00 52.34 C ATOM 1271 CD1 LEU A 476 0.487 -0.413 -9.820 1.00 11.41 C ATOM 1272 CD2 LEU A 476 0.615 1.319 -11.574 1.00 52.20 C ATOM 0 H LEU A 476 -1.193 -2.857 -13.328 1.00 74.33 H new ATOM 0 HA LEU A 476 -2.506 -1.685 -11.129 1.00 54.42 H new ATOM 0 HB2 LEU A 476 -0.006 -1.615 -12.001 1.00 4.33 H new ATOM 0 HB3 LEU A 476 -0.518 -0.297 -13.036 1.00 4.33 H new ATOM 0 HG LEU A 476 -1.201 0.678 -10.590 1.00 52.34 H new ATOM 0 HD11 LEU A 476 0.755 0.343 -9.082 1.00 11.41 H new ATOM 0 HD12 LEU A 476 -0.144 -1.169 -9.352 1.00 11.41 H new ATOM 0 HD13 LEU A 476 1.393 -0.883 -10.204 1.00 11.41 H new ATOM 0 HD21 LEU A 476 0.900 2.029 -10.797 1.00 52.20 H new ATOM 0 HD22 LEU A 476 1.510 0.856 -11.989 1.00 52.20 H new ATOM 0 HD23 LEU A 476 0.077 1.843 -12.364 1.00 52.20 H new ATOM 1284 N LYS A 477 -4.191 0.194 -11.852 1.00 21.04 N ATOM 1285 CA LYS A 477 -5.155 1.322 -12.245 1.00 71.11 C ATOM 1286 C LYS A 477 -5.197 2.423 -11.096 1.00 34.20 C ATOM 1287 O LYS A 477 -5.525 2.083 -9.955 1.00 20.54 O ATOM 1288 CB LYS A 477 -6.579 0.744 -12.691 1.00 74.02 C ATOM 1289 CG LYS A 477 -7.876 1.688 -12.864 1.00 41.33 C ATOM 1290 CD LYS A 477 -7.662 3.046 -13.562 1.00 11.40 C ATOM 1291 CE LYS A 477 -8.966 3.894 -13.609 1.00 32.13 C ATOM 1292 NZ LYS A 477 -8.700 5.322 -13.254 1.00 10.34 N ATOM 0 H LYS A 477 -4.411 -0.237 -10.954 1.00 21.04 H new ATOM 0 HA LYS A 477 -4.789 1.836 -13.134 1.00 71.11 H new ATOM 0 HB2 LYS A 477 -6.428 0.242 -13.647 1.00 74.02 H new ATOM 0 HB3 LYS A 477 -6.846 -0.025 -11.966 1.00 74.02 H new ATOM 0 HG2 LYS A 477 -8.627 1.133 -13.425 1.00 41.33 H new ATOM 0 HG3 LYS A 477 -8.293 1.877 -11.875 1.00 41.33 H new ATOM 0 HD2 LYS A 477 -6.886 3.604 -13.038 1.00 11.40 H new ATOM 0 HD3 LYS A 477 -7.303 2.878 -14.577 1.00 11.40 H new ATOM 0 HE2 LYS A 477 -9.401 3.840 -14.607 1.00 32.13 H new ATOM 0 HE3 LYS A 477 -9.699 3.476 -12.919 1.00 32.13 H new ATOM 0 HZ1 LYS A 477 -9.578 5.765 -12.916 1.00 10.34 H new ATOM 0 HZ2 LYS A 477 -7.979 5.365 -12.505 1.00 10.34 H new ATOM 0 HZ3 LYS A 477 -8.357 5.830 -14.094 1.00 10.34 H new ATOM 1306 N VAL A 478 -4.840 3.742 -11.376 1.00 2.24 N ATOM 1307 CA VAL A 478 -4.585 4.753 -10.324 1.00 23.03 C ATOM 1308 C VAL A 478 -5.879 5.618 -10.041 1.00 74.22 C ATOM 1309 O VAL A 478 -6.626 5.889 -10.990 1.00 1.42 O ATOM 1310 CB VAL A 478 -3.292 5.625 -10.758 1.00 23.02 C ATOM 1311 CG1 VAL A 478 -3.382 7.146 -10.629 1.00 4.32 C ATOM 1312 CG2 VAL A 478 -2.021 5.205 -10.027 1.00 10.03 C ATOM 0 H VAL A 478 -4.730 4.101 -12.324 1.00 2.24 H new ATOM 0 HA VAL A 478 -4.357 4.273 -9.372 1.00 23.03 H new ATOM 0 HB VAL A 478 -3.261 5.394 -11.823 1.00 23.02 H new ATOM 0 HG11 VAL A 478 -2.444 7.595 -10.955 1.00 4.32 H new ATOM 0 HG12 VAL A 478 -4.197 7.516 -11.251 1.00 4.32 H new ATOM 0 HG13 VAL A 478 -3.569 7.412 -9.589 1.00 4.32 H new ATOM 0 HG21 VAL A 478 -1.188 5.825 -10.359 1.00 10.03 H new ATOM 0 HG22 VAL A 478 -2.161 5.330 -8.953 1.00 10.03 H new ATOM 0 HG23 VAL A 478 -1.804 4.159 -10.245 1.00 10.03 H new ATOM 1322 N GLN A 479 -6.182 6.028 -8.757 1.00 14.11 N ATOM 1323 CA GLN A 479 -7.407 6.773 -8.444 1.00 74.55 C ATOM 1324 C GLN A 479 -7.052 7.951 -7.464 1.00 34.24 C ATOM 1325 O GLN A 479 -6.322 7.707 -6.502 1.00 34.03 O ATOM 1326 CB GLN A 479 -8.494 5.772 -7.836 1.00 52.54 C ATOM 1327 CG GLN A 479 -7.972 4.809 -6.729 1.00 63.35 C ATOM 1328 CD GLN A 479 -8.419 5.177 -5.313 1.00 5.11 C ATOM 1329 OE1 GLN A 479 -8.732 6.331 -5.038 1.00 55.42 O ATOM 1330 NE2 GLN A 479 -8.384 4.201 -4.380 1.00 61.13 N ATOM 0 H GLN A 479 -5.586 5.845 -7.949 1.00 14.11 H new ATOM 0 HA GLN A 479 -7.840 7.211 -9.343 1.00 74.55 H new ATOM 0 HB2 GLN A 479 -9.314 6.360 -7.425 1.00 52.54 H new ATOM 0 HB3 GLN A 479 -8.907 5.174 -8.649 1.00 52.54 H new ATOM 0 HG2 GLN A 479 -8.312 3.798 -6.954 1.00 63.35 H new ATOM 0 HG3 GLN A 479 -6.883 4.794 -6.761 1.00 63.35 H new ATOM 0 HE21 GLN A 479 -8.119 3.252 -4.644 1.00 61.13 H new ATOM 0 HE22 GLN A 479 -8.622 4.413 -3.411 1.00 61.13 H new